data_2mp4_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 2mp4 _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 ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 121.119 0.485 . . . . 71.33 110.652 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -76.72 -24.02 53.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.897 -0.592 . . . . 74.31 110.789 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 71.93 1.3 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.488 -0.863 . . . . 73.23 111.993 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.98 130.59 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.961 0.41 . . . . 70.24 111.119 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 ptp -120.01 170.29 9.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.795 -0.638 . . . . 73.52 109.516 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.21 139.14 36.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.869 -0.332 . . . . 74.11 111.24 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.603 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.18 128.63 93.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.205 -0.665 . . . . 53.52 109.205 170.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -45.21 -36.56 12.44 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.675 2.917 . . . . 74.24 114.499 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.79 -16.9 64.23 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.448 0.536 . . . . 65.5 112.448 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.544 HG11 HD13 ' A' ' 129' ' ' ILE . 79.1 t -58.5 -53.26 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 74.43 110.119 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 43.5 mt-30 -64.38 -37.1 86.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.563 . . . . 73.4 110.862 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 m -59.1 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 72.14 110.805 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 m -67.53 -28.06 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 75.41 110.874 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.653 ' HE1' HG12 ' A' ' 84' ' ' VAL . 20.1 m-85 -77.05 -28.48 54.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 73.42 111.444 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.594 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 17.6 mm-40 -64.52 -54.37 33.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 74.52 110.917 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HZ3' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.24 -14.79 61.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.143 -0.481 . . . . 72.23 112.043 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' O ' ' A' ' 26' ' ' ARG . 52.9 tp -87.93 -57.31 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.702 -0.481 . . . . 73.02 109.702 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.8 m -59.14 -53.57 56.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.33 111.884 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -103.72 12.83 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.905 0.383 . . . . 70.32 111.381 -174.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.63 -96.26 0.97 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.286 -0.959 . . . . 71.41 112.984 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.7 mmt180 -70.59 -20.73 62.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 75.14 112.601 -174.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 19.9 mtpp 70.82 -86.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.69 0.619 . . . . 74.42 111.993 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.576 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -108.72 17.87 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 73.52 110.882 -172.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -130.71 137.57 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.615 -0.434 . . . . 73.23 111.393 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.813 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 29.7 mtt180 66.26 115.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.039 -0.982 . . . . 75.31 110.52 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -111.99 178.67 4.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 72.43 111.955 -167.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.522 HG13 ' CD1' ' A' ' 30' ' ' PHE . 5.4 tp -119.58 126.08 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 71.22 110.94 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -115.45 108.37 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 74.41 109.324 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD1' HG13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -134.87 130.57 36.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 73.21 111.598 -175.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HE2' ' HD3' ' A' ' 81' ' ' ARG . 1.2 mptm? -118.13 -179.55 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 71.04 110.184 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.02 127.86 50.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.327 -0.397 . . . . 71.41 110.12 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' HB2' HD11 ' A' ' 38' ' ' ILE . 28.6 t70 -125.62 122.28 35.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.352 -0.61 . . . . 72.21 109.352 174.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 63.94 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 74.13 111.643 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -152.98 14.55 0.53 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.184 0.439 . . . . 65.31 112.184 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -143.95 160.04 41.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.084 -0.646 . . . . 74.44 111.045 176.24 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 22.8 t -77.5 130.4 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.619 -0.719 . . . . 75.41 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.525 HG22 ' HE3' ' A' ' 36' ' ' LYS . 43.9 pt -119.44 141.72 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 71.54 111.293 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -85.73 108.64 17.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.296 -0.411 . . . . 75.31 110.03 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' CD ' ' HD3' ' A' ' 31' ' ' LYS . 92.5 mt-10 -80.84 -42.51 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.48 -0.327 . . . . 74.13 110.37 178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 140.07 19.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.125 0.488 . . . . 73.34 112.019 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . . . -115.32 75.22 0.93 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.477 -0.934 . . . . 72.21 108.477 168.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.06 144.01 31.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.266 -0.879 . . . . 74.32 111.636 -167.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.813 ' HB ' ' HG2' ' A' ' 26' ' ' ARG . 10.2 t -100.96 163.91 12.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.301 -0.629 . . . . 75.14 109.301 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.502 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 12.5 pt20 -83.97 -19.59 34.34 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.507 -0.477 . . . . 72.34 110.068 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.664 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.5 p30 -77.18 -15.66 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 75.43 111.236 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' H ' HG21 ' A' ' 44' ' ' THR . 20.2 pt20 -91.34 -13.35 32.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.88 -0.328 . . . . 71.35 111.088 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -99.1 -15.17 19.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.724 -0.39 . . . . 71.45 111.478 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.2 -20.65 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.984 -1.103 . . . . 74.44 113.266 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.723 HG22 ' H ' ' A' ' 51' ' ' THR . 7.2 mm -86.74 178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.188 -0.671 . . . . 72.31 109.188 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -97.89 -34.73 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.463 0.542 . . . . 74.53 112.463 -176.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.58 -78.41 0.3 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 119.675 -1.25 . . . . 52.54 114.61 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 9.7 m-20 -64.06 126.86 29.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.869 0.322 . . . . 75.12 111.869 -170.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.598 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 14.1 t70 -53.58 -64.97 0.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.89 -0.595 . . . . 73.41 112.155 -176.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -100.91 -39.4 7.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.308 -0.557 . . . . 72.42 110.47 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 24.4 t70 -54.75 -42.24 71.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 73.44 110.831 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 58' ' ' SER . 5.0 t70 -96.69 -26.18 15.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.714 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 21.8 t 83.7 35.51 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.234 0.959 . . . . 64.52 110.315 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 75.0 m -81.46 1.31 33.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.787 -0.642 . . . . 74.31 111.252 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.598 ' HD2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.33 -24.8 57.41 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.292 0.237 . . . . 73.31 111.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.27 -31.11 42.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.395 -0.366 . . . . 72.52 111.038 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.16 79.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.386 . . . . 73.14 110.114 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 98.3 m-85 -65.38 -26.16 67.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.805 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -69.46 -38.03 77.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.854 -0.612 . . . . 73.22 110.823 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -86.92 -23.9 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.319 . . . . 73.04 111.333 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.513 ' O ' HG21 ' A' ' 70' ' ' VAL . 6.3 m-30 -61.56 -34.68 75.99 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.842 0.312 . . . . 74.2 111.842 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.776 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 34.6 m -63.37 -32.49 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 73.54 111.021 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -69.97 -41.92 73.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.392 0.615 . . . . 71.3 110.131 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 17.0 t70 -60.25 -36.53 77.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.261 -0.882 . . . . 73.32 109.381 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 66' ' ' PHE . 77.0 t -58.15 -46.28 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 115.487 -0.779 . . . . 74.14 111.212 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -80.21 -21.0 43.36 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 118.891 -1.124 . . . . 74.1 110.836 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -75.45 -48.31 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.329 -0.396 . . . . 74.22 110.96 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 52.3 ptt85 -78.96 -31.65 45.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.782 0.29 . . . . 75.41 111.782 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 79' ' ' ASP . 2.8 m -101.15 15.33 29.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.794 0.33 . . . . 75.2 111.812 -174.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.14 -77.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.873 0.694 . . . . 74.24 112.873 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.421 ' HB3' ' H ' ' A' ' 77' ' ' LEU . 5.4 t-20 -103.91 -82.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.732 0.301 . . . . 75.03 110.266 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 76' ' ' ASN . 1.8 pt? -161.89 23.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 74.22 108.768 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.73 29.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.899 -1.046 . . . . 72.11 111.899 -171.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 74' ' ' THR . 17.2 t70 -98.4 139.78 33.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.51 -0.552 . . . . 75.22 109.51 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.471 ' HA ' HG23 ' A' ' 109' ' ' ILE . 30.8 m -147.76 134.46 19.96 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.179 -1.045 . . . . 72.54 108.179 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.538 ' HD3' ' HE2' ' A' ' 31' ' ' LYS . 4.2 ptp180 -163.96 175.67 10.12 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.973 -0.38 . . . . 74.54 109.973 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.1 m-85 -112.94 128.17 56.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.779 -0.646 . . . . 74.34 109.334 166.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -131.75 130.22 41.63 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.925 -0.58 . . . . 71.45 109.698 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.653 HG12 ' HE1' ' A' ' 15' ' ' PHE . 68.6 t -124.86 122.37 63.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.274 0.559 . . . . 71.33 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.421 ' CE2' ' HB1' ' A' ' 83' ' ' ALA . 53.4 m-85 -129.66 131.02 46.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.349 -0.841 . . . . 72.52 109.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.7 t70 -90.95 97.79 11.39 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.305 -1.739 . . . . 63.43 106.305 165.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -101.93 135.07 44.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.423 0.63 . . . . 71.42 110.491 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.609 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 31.2 ttmt -94.69 109.95 21.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.349 -0.841 . . . . 75.41 110.694 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CE1' HD23 ' A' ' 158' ' ' LEU . 11.3 p90 -121.48 -171.64 2.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.16 -0.927 . . . . 71.01 109.658 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.567 ' HB ' HG23 ' A' ' 98' ' ' THR . 27.7 p -123.57 124.54 43.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.661 0.267 . . . . 74.23 110.72 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.1 t -96.86 140.18 31.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.967 -0.56 . . . . 71.24 109.708 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -82.02 101.6 10.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.99 -0.55 . . . . 74.34 110.334 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -72.26 120.45 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.579 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.82 116.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 75.03 109.958 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.31 -12.04 47.84 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.372 -0.691 . . . . 74.44 111.372 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.12 -160.64 1.09 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.081 -0.34 . . . . 73.03 110.081 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.55 -135.76 6.78 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.617 -0.801 . . . . 64.45 112.595 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.567 HG23 ' HB ' ' A' ' 90' ' ' THR . 52.5 m -70.77 134.85 47.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.827 0.346 . . . . 64.2 111.302 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -139.06 121.13 15.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 72.02 110.139 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.609 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 4.9 tmmm? -68.91 130.5 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.084 -176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.1 136.55 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 73.42 110.092 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.34 129.45 53.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.398 -0.364 . . . . 72.23 110.343 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.87 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -164.76 164.3 21.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.611 0.719 . . . . 75.01 112.918 177.119 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 6.7 tt -95.04 140.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.326 -1.307 . . . . 73.1 111.864 -168.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.469 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.9 pt -130.01 144.19 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.125 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.685 ' HE1' HG23 ' A' ' 138' ' ' ILE . 31.0 m-85 -93.11 112.5 24.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 74.04 110.462 172.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 7.1 tt -94.89 103.0 14.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.722 -0.473 . . . . 71.12 109.722 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.626 HE22 ' HB3' ' A' ' 122' ' ' TYR . 5.4 tp60 -103.21 115.01 29.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.75 -0.659 . . . . 73.32 109.306 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' HA ' ' A' ' 80' ' ' CYS . 8.9 tt -104.44 108.9 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.369 0.604 . . . . 73.45 110.059 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.8 t -122.86 85.6 50.15 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.419 -0.809 . . . . 75.55 110.791 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.826 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 31.5 Cg_exo -62.15 122.53 11.03 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.901 2.401 . . . . 70.22 111.059 174.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.82 -43.05 99.62 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.39 -0.524 . . . . 74.14 109.798 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.93 50.41 4.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.957 -0.64 . . . . 73.32 112.302 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -125.47 176.81 6.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.648 0.261 . . . . 72.41 110.841 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 m -62.88 101.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.804 -0.635 . . . . 73.44 110.88 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.38 -44.48 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -49.98 -64.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.833 0.349 . . . . 74.21 111.609 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.34 -24.11 59.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 73.43 111.168 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 35.9 ttpt -74.14 -39.76 63.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.964 0.411 . . . . 75.44 110.625 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.1 ttt -68.09 -21.75 64.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 72.23 109.936 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.26 -35.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 72.51 109.992 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.626 ' HB3' HE22 ' A' ' 108' ' ' GLN . 50.2 m-85 -66.97 -25.1 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 74.45 111.396 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.73 -36.7 73.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 74.14 109.967 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 m -70.59 -29.42 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 72.14 110.044 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.0 m -69.65 -36.12 75.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.559 -0.746 . . . . 70.43 111.478 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.02 -41.4 59.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.909 0.385 . . . . 74.21 111.625 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.84 71.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.544 . . . . 71.3 110.571 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -51.2 50.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 71.21 112.046 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.544 HD13 HG11 ' A' ' 11' ' ' VAL . 5.7 tp -63.71 -37.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.716 -0.22 . . . . 72.15 111.463 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 27.6 ttpt -74.08 -42.99 59.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 61.41 110.224 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 55.3 m -65.18 -34.81 79.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.045 -0.525 . . . . 71.32 110.769 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -29.56 66.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.374 -0.376 . . . . 75.31 111.037 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.475 HD21 ' HZ ' ' A' ' 106' ' ' PHE . 10.5 mp -92.42 -28.51 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.39 -0.524 . . . . 72.55 111.938 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 50.08 41.98 38.95 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 121.424 -0.417 . . . . 62.12 113.114 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.5 HG21 HG21 ' A' ' 138' ' ' ILE . 2.9 m -68.02 -44.45 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 70.22 111.527 -175.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.12 -31.54 2.05 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 116.23 -0.441 . . . . 73.53 113.402 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -128.25 95.77 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.99 0.424 . . . . 72.53 110.083 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.685 HG23 ' HE1' ' A' ' 106' ' ' PHE . 1.6 pp -149.16 159.35 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.832 -0.622 . . . . 75.54 111.147 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 139' ' ' LEU . 4.1 mm? -110.19 99.9 8.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.095 -0.706 . . . . 73.43 109.095 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -104.52 100.82 10.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.888 -0.596 . . . . 71.23 109.768 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.539 ' HD2' HG11 ' A' ' 143' ' ' VAL . 36.0 p90 -100.62 152.44 20.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.955 -0.566 . . . . 73.24 110.95 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -112.99 105.79 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.198 0.523 . . . . 74.54 110.302 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.539 HG11 ' HD2' ' A' ' 141' ' ' PHE . 26.9 m -105.28 165.27 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.594 -0.73 . . . . 74.31 110.111 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 56.7 p -136.3 -27.12 1.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.833 0.349 . . . . 71.43 111.24 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.85 154.66 23.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.792 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.776 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 9.6 pt-20 -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 74.13 111.612 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.2 t -70.15 -24.84 63.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.402 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.93 -24.94 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 71.32 110.656 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.47 ' HB2' HD13 ' A' ' 107' ' ' LEU . 25.9 ptm -103.55 19.33 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.975 0.416 . . . . 71.22 110.803 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 38.8 m -80.21 162.85 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.666 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.597 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 32.1 p80 -60.18 -38.68 83.96 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.63 0.604 . . . . 65.34 112.63 -172.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -61.84 -50.34 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.735 0.302 . . . . 73.41 110.493 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.755 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 6.1 mm-40 -62.75 -40.76 98.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.172 -0.467 . . . . 71.31 111.417 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 150' ' ' SER . 30.0 mt -56.61 -48.31 77.73 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.976 -0.29 . . . . 74.54 110.58 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 8.1 tt -60.84 -45.02 96.14 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.512 -0.551 . . . . 72.44 109.512 177.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -58.8 -46.38 87.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.316 -0.856 . . . . 71.22 111.323 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.755 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 66.8 mmtt -63.85 -48.73 75.58 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.04 0.448 . . . . 74.15 110.6 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 89' ' ' PHE . 18.1 tp -74.54 -11.32 60.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.655 -175.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -91.81 -46.31 3.71 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.57 -0.824 . . . . 72.52 111.963 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -65.58 -29.25 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.758 0.279 . . . . 71.41 111.288 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.5 ' HD2' ' CD2' ' A' ' 162' ' ' TYR . 3.4 pptp? -49.07 -49.02 43.55 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.552 0.533 . . . . 74.14 112.311 -175.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.5 ' CD2' ' HD2' ' A' ' 161' ' ' LYS . 17.5 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.396 . . . . 71.21 111.103 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.0 0.429 . . . . 73.11 110.125 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -99.38 1.53 44.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.54 . . . . 61.12 110.152 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.09 70.32 1.14 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.316 -1.114 . . . . 54.34 110.316 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.56 130.09 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.231 0.539 . . . . 74.41 111.33 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 86.1 mtp -99.24 158.11 15.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.614 -0.721 . . . . 72.34 109.567 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.608 HG12 ' HB3' ' A' ' 132' ' ' SER . 3.5 p -111.52 112.74 41.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.036 0.446 . . . . 72.14 110.435 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.612 ' O ' HG21 ' A' ' 11' ' ' VAL . 18.5 t70 -69.68 131.0 89.87 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.773 -0.454 . . . . 72.41 109.773 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -56.53 -26.09 62.12 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 123.274 2.649 . . . . 75.24 113.717 -173.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.69 -24.6 67.62 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.056 0.391 . . . . 74.03 112.056 -175.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 8' ' ' ASP . 17.8 m -68.6 -42.09 83.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.449 -0.575 . . . . 74.34 109.449 174.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -69.66 -35.92 75.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.542 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 m -59.44 -41.62 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.366 0.603 . . . . 75.12 110.308 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.497 ' CB ' HD12 ' A' ' 28' ' ' ILE . 38.2 m -69.35 -34.13 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.625 -0.716 . . . . 75.45 110.858 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.628 ' CZ ' HG23 ' A' ' 84' ' ' VAL . 19.7 m-85 -63.9 -26.15 68.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 74.34 111.398 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 15.8 mm100 -84.55 -42.12 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 75.14 111.403 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.732 ' HZ3' ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -59.24 -31.57 69.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.942 0.719 . . . . 72.24 112.942 -170.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -89.91 -36.15 15.19 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.413 -0.515 . . . . 70.2 110.618 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -67.21 -40.61 86.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 74.22 111.002 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.1 pt-20 -91.7 -3.26 56.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.322 . . . . 75.33 111.089 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.95 -114.63 0.72 Allowed Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.005 -0.838 . . . . 72.31 111.005 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -91.87 -68.87 0.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.611 -0.885 . . . . 73.13 108.611 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? 179.17 -70.76 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.321 -0.854 . . . . 74.41 109.883 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.762 ' HB3' ' HH ' ' A' ' 27' ' ' TYR . 40.5 mp0 -85.28 13.09 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.018 -0.537 . . . . 74.13 111.957 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -88.82 119.94 29.77 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.211 -0.596 . . . . 73.34 111.178 -174.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.949 ' H ' ' HB ' ' A' ' 44' ' ' THR . 65.3 mtt85 55.58 116.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.395 -1.275 . . . . 71.14 112.515 -175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.762 ' HH ' ' HB3' ' A' ' 24' ' ' GLU . 61.2 m-85 -100.46 173.47 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 75.22 110.539 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.616 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.0 tp -116.91 121.14 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.544 0.687 . . . . 73.14 111.342 -176.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.47 119.01 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.32 -0.855 . . . . 75.51 108.842 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' HD1' HG13 ' A' ' 28' ' ' ILE . 3.1 p90 -134.47 151.21 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.348 0.594 . . . . 74.34 111.789 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' HG3' ' A' ' 40' ' ' GLU . 55.9 mtpt -139.36 -172.18 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.753 -0.658 . . . . 64.21 110.628 -175.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.79 HD12 ' HG ' ' A' ' 125' ' ' SER . 25.0 mm -110.1 126.25 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.176 0.512 . . . . 75.23 111.153 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -134.56 151.05 50.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.268 -1.012 . . . . 63.25 108.268 172.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 57.55 -95.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.553 0.533 . . . . 74.14 110.212 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -150.46 20.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.3 -0.409 . . . . 61.25 110.709 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.73 165.92 26.07 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.503 -0.479 . . . . 74.44 111.177 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.52 ' HA ' HD13 ' A' ' 32' ' ' ILE . 36.6 t -74.99 126.88 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.992 -0.549 . . . . 74.41 110.764 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 36' ' ' LYS . 24.1 pt -121.29 153.75 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.633 0.254 . . . . 74.31 110.371 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.1 126.87 40.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.24 0.543 . . . . 73.54 110.424 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.71 ' HG3' ' HD3' ' A' ' 31' ' ' LYS . 11.6 mm-40 -96.57 -50.6 4.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.722 -0.672 . . . . 72.22 110.808 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.43 149.14 33.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 73.24 111.22 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -137.36 83.66 2.01 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.211 -0.904 . . . . 63.24 108.803 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.4 147.62 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.797 -0.638 . . . . 73.13 110.578 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.949 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 4.5 t -99.2 156.65 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.014 -0.365 . . . . 64.43 110.014 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 3.6 pt20 -81.5 -21.49 38.62 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.017 0.437 . . . . 74.42 110.223 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -16.72 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 74.13 110.891 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 44' ' ' THR . 18.9 pt20 -91.15 -19.77 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.924 -0.31 . . . . 74.2 111.192 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -93.68 -12.31 29.59 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.878 -0.329 . . . . 75.04 111.425 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.86 23.0 0.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 119.932 -1.127 . . . . 70.14 113.738 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.55 155.82 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.618 -0.512 . . . . 73.33 109.618 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 1.6 m -52.97 -60.44 3.28 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.769 0.655 . . . . 74.32 112.769 -173.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.19 -88.98 0.11 Allowed Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.366 -0.921 . . . . 73.21 113.005 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 12.5 t70 -67.53 144.12 55.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.443 0.163 . . . . 72.01 111.031 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.541 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 8.0 t70 -56.65 -63.68 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.438 0.533 . . . . 74.02 112.438 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.64 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 86.0 t80 -100.52 -37.52 8.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.454 -0.499 . . . . 74.24 111.415 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.84 -15.34 62.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 73.33 110.108 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 17.9 m-20 -120.17 -1.92 10.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.526 -0.761 . . . . 72.53 110.85 171.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.1 m 60.84 32.17 20.08 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.452 0.47 . . . . 73.54 112.187 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 m -74.21 -15.26 61.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.625 0.602 . . . . 70.44 112.625 -174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -56.43 -22.92 35.1 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 110.244 -0.28 . . . . 72.52 110.244 175.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.69 -27.64 5.02 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.357 -0.383 . . . . 73.53 111.352 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.617 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -62.06 -27.57 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.433 . . . . 72.42 110.93 176.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.755 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 28.2 m-85 -72.17 -19.82 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.194 -0.457 . . . . 74.4 111.305 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.1 t70 -58.27 -31.55 67.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 63.31 110.678 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -86.82 -22.31 25.92 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.781 -0.367 . . . . 74.54 110.322 175.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 63' ' ' PHE . 22.3 m-85 -71.37 -30.6 66.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 74.35 111.571 -177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.593 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.0 m -63.75 -31.19 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 74.11 110.077 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.38 -41.53 24.47 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.317 -0.623 . . . . 63.13 109.317 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 9.7 t70 -50.56 -35.88 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.093 -0.958 . . . . 74.01 109.881 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 66' ' ' PHE . 75.9 t -65.0 -57.39 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.772 -0.649 . . . . 72.12 111.469 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -84.45 -20.71 31.31 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 119.548 -0.861 . . . . 72.41 112.748 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -70.61 -61.27 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.497 0.189 . . . . 71.1 111.264 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 7.9 ppt_? -80.53 -3.08 48.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.218 0.451 . . . . 74.35 112.218 -172.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 79' ' ' ASP . 68.4 p -101.83 -5.99 24.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.156 -0.312 . . . . 73.23 110.156 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 t70 67.99 -59.88 0.42 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.199 -0.91 . . . . 74.44 111.856 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -145.04 51.49 1.22 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 71.0 110.89 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt 59.76 33.82 21.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.858 -0.61 . . . . 70.53 112.125 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -75.16 -40.68 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 63.02 111.146 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.568 ' HB3' HG21 ' A' ' 74' ' ' THR . 28.1 t70 -95.16 141.87 28.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.41 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.01 161.21 35.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.099 -0.501 . . . . 55.21 109.731 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.03 166.44 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.741 0.305 . . . . 75.43 111.211 -175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.595 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.33 127.53 55.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.026 -1.102 . . . . 74.12 108.026 176.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 107' ' ' LEU . . . -130.09 141.23 50.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.9 0.381 . . . . 74.42 111.105 -174.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.628 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 23.4 t -130.37 128.1 63.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.087 -0.506 . . . . 53.44 111.419 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -139.02 131.4 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 75.41 109.798 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -86.68 100.84 12.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.895 -0.78 . . . . 74.41 108.895 169.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.513 ' HZ ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 m-30 -93.77 134.51 36.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.613 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 1.8 ttmp? -107.54 127.74 53.89 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 73.33 109.999 174.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.64 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 8.8 p90 -143.64 178.45 7.78 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.696 -0.684 . . . . 74.12 109.27 -176.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 75.2 p -119.71 121.2 38.69 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.768 -0.373 . . . . 74.43 110.211 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 50.2 t -102.22 131.36 48.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.217 -0.66 . . . . 73.43 109.217 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m -63.66 116.06 5.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.876 0.37 . . . . 64.52 110.47 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -77.29 123.56 26.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.226 -0.657 . . . . 64.0 109.226 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.47 112.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 63.44 110.599 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 4.03 65.35 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 73.34 112.681 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.77 -160.8 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.83 0.315 . . . . 74.1 110.783 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -159.7 35.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.972 -0.633 . . . . 65.31 112.69 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 2.0 p -81.43 136.52 35.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 74.45 111.706 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -105.86 116.04 31.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 75.23 110.084 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.6 116.74 22.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.211 -0.45 . . . . 70.45 109.877 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.8 ttt -131.35 135.41 47.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.398 . . . . 75.31 110.819 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.477 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.9 p30 -107.53 141.8 38.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.597 -0.52 . . . . 65.42 109.597 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -165.04 148.55 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.435 0.636 . . . . 75.32 111.775 176.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.597 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -75.3 132.47 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.719 -1.128 . . . . 74.24 111.409 -177.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 33.0 pt -113.69 136.92 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.722 175.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.548 ' HE2' HG23 ' A' ' 138' ' ' ILE . 30.0 m-85 -92.41 104.33 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.078 -0.51 . . . . 74.41 110.096 173.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.552 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 6.6 tt -90.67 102.15 14.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.239 -0.652 . . . . 74.54 109.239 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 142' ' ' GLN . 49.0 tp60 -103.89 113.45 26.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.309 -0.405 . . . . 74.42 110.682 176.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.498 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.5 mt -84.27 116.83 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.3 t -132.04 82.46 59.17 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 120.87 0.366 . . . . 75.04 110.34 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.924 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.9 Cg_exo -63.23 130.31 28.33 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.547 2.165 . . . . 73.53 110.921 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.72 -41.93 91.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 73.24 111.164 -174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.7 22.14 40.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.906 -0.664 . . . . 73.53 112.904 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -80.63 175.9 10.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.721 0.296 . . . . 75.13 110.932 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.456 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 4.8 m -61.89 94.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.902 -0.59 . . . . 74.21 110.816 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.5 mt -50.06 -43.97 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.572 0.582 . . . . 74.12 112.572 -174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -51.74 68.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.49 0.552 . . . . 74.44 112.49 -175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 16.1 pttp -85.93 -21.02 28.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.593 -0.443 . . . . 73.34 111.039 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.692 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 30.1 ttpt -75.26 -30.74 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.877 -0.416 . . . . 72.34 109.877 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -65.71 -27.96 68.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.214 -0.661 . . . . 71.43 109.214 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 32' ' ' ILE . 47.8 t -58.81 -41.74 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.667 . . . . 75.55 109.893 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.9 -34.59 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.424 -0.353 . . . . 74.2 111.066 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.69 -34.41 78.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.284 0.564 . . . . 73.2 109.949 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.7 m -71.57 -33.6 69.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 74.13 110.009 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.79 ' HG ' HD12 ' A' ' 32' ' ' ILE . 18.2 m -68.05 -36.12 79.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 72.4 111.327 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -54.72 -41.09 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 63.41 111.114 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.64 64.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.14 111.08 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.29 -44.59 24.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.351 -0.386 . . . . 61.1 111.591 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.8 tp -60.93 -35.47 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.325 -0.398 . . . . 61.33 111.112 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -26.5 45.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.865 0.364 . . . . 74.11 110.826 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.2 m -76.96 -41.32 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.531 -0.304 . . . . 74.53 110.615 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.608 ' HB3' HG12 ' A' ' 7' ' ' VAL . 10.8 p -64.83 -40.44 95.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 75.4 111.248 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.56 -27.37 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.393 . . . . 73.14 111.183 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.64 -82.52 1.06 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.57 -0.824 . . . . 64.21 111.617 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.832 HG21 HG21 ' A' ' 138' ' ' ILE . 11.5 m 63.78 -65.99 0.11 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.699 0.8 . . . . 64.24 112.548 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.91 -30.46 9.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.476 -0.392 . . . . 54.33 112.85 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -160.9 123.43 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 74.24 110.665 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.832 HG21 HG21 ' A' ' 135' ' ' THR . 1.6 pp -143.41 177.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.88 -0.6 . . . . 75.23 111.181 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.39 102.19 9.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 70.53 109.769 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.15 124.09 48.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.279 -0.419 . . . . 75.12 109.989 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.552 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 52.2 p90 -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.836 -0.431 . . . . 72.41 109.836 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 76.9 mt-30 -115.19 122.79 47.11 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.603 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.703 HG11 ' HB3' ' A' ' 149' ' ' MET . 21.6 m -106.23 130.72 57.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.933 -0.576 . . . . 71.11 110.464 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.5 p -91.77 -18.28 24.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 71.51 110.548 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.96 167.75 25.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.304 -0.862 . . . . 72.12 109.99 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.646 ' HA ' ' HG2' ' A' ' 149' ' ' MET . 0.0 OUTLIER -81.48 -21.83 38.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.687 -0.688 . . . . 75.33 112.03 -175.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.1 t -67.62 -40.2 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.795 0.331 . . . . 63.02 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -71.03 -36.07 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.813 0.301 . . . . 72.21 111.813 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.703 ' HB3' HG11 ' A' ' 143' ' ' VAL . 25.7 ptm -81.75 29.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 73.1 111.656 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.0 m -54.54 151.01 8.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.269 -0.423 . . . . 73.1 110.742 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.54 -24.77 57.95 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.343 0.497 . . . . 72.41 112.343 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -73.29 -34.29 65.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.029 0.381 . . . . 74.53 112.029 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -63.98 -33.77 76.49 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.438 -0.105 . . . . 64.41 111.006 -173.031 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 153' ' ' GLU . 63.7 mt -60.38 -37.48 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 73.54 110.655 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.89 -52.19 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.421 -0.585 . . . . 70.24 109.421 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -63.6 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 73.52 110.952 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -69.87 -40.32 75.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.028 -0.533 . . . . 73.31 111.19 -177.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 103' ' ' LYS . 41.5 tp -77.64 -10.86 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.041 0.448 . . . . 64.32 110.136 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.98 -41.88 3.19 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.825 -0.702 . . . . 54.22 113.347 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.46 -22.11 61.06 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.523 0.934 . . . . 74.54 113.523 -170.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.57 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -64.01 -39.5 94.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.84 -0.344 . . . . 74.43 111.649 -173.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.57 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.9 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 73.02 111.074 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.379 0.609 . . . . 64.51 110.803 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -126.13 -18.28 5.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 71.33 110.084 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.35 101.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.448 -0.882 . . . . 72.43 111.745 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' HG ' ' A' ' 125' ' ' SER . 96.2 t -89.77 129.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.692 -0.484 . . . . 72.22 109.692 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 36.9 mtt -99.42 169.46 9.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.264 -0.426 . . . . 75.42 109.854 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.12 120.06 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.964 0.411 . . . . 72.1 111.236 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.91 136.02 83.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.919 -0.582 . . . . 73.23 110.154 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.87 -26.37 80.5 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 62.1 111.311 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.26 -33.86 68.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.14 -0.936 . . . . 75.24 111.004 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.37 -46.98 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.208 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.03 -40.64 95.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.522 . . . . 73.11 110.926 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 m -59.72 -39.48 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 63.21 110.489 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.587 ' HB3' HD12 ' A' ' 28' ' ' ILE . 21.8 m -75.75 -19.01 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.484 -0.78 . . . . 63.3 111.221 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.8 m-85 -81.54 -43.09 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.958 0.409 . . . . 72.24 111.332 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -71.43 -14.33 62.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.838 0.31 . . . . 74.13 111.838 -174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.8 ptmm? -71.58 -18.24 62.25 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.847 -0.341 . . . . 73.22 111.211 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.2 pt? -123.87 -34.12 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.281 -0.568 . . . . 74.44 111.154 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -58.78 -53.99 52.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.996 0.427 . . . . 71.33 110.41 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -110.29 26.85 10.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.37 -0.604 . . . . 73.42 109.37 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.29 -124.51 2.77 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.733 -0.746 . . . . 74.41 113.009 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -99.36 15.87 24.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.976 0.362 . . . . 75.45 111.976 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 29.5 mtpp 52.15 -95.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.854 1.057 . . . . 72.43 113.854 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.629 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 3.3 mp0 -71.86 -6.53 42.37 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.08 0.4 . . . . 75.25 112.08 -170.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -92.7 121.81 34.48 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.336 -0.546 . . . . 75.32 110.78 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.66 ' N ' ' HB ' ' A' ' 44' ' ' THR . 65.0 mtt-85 54.85 116.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.255 -1.339 . . . . 61.51 112.261 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -98.14 178.68 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.32 -0.622 . . . . 71.22 109.32 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.657 HG13 ' HD1' ' A' ' 30' ' ' PHE . 5.0 tp -120.47 124.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.453 0.645 . . . . 73.1 111.882 -173.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -115.73 116.99 54.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.174 -0.921 . . . . 74.44 109.286 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.657 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.5 p90 -133.37 153.75 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 63.22 111.294 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HZ1' ' CD ' ' A' ' 40' ' ' GLU . 79.8 mttt -142.27 154.08 44.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.29 -0.414 . . . . 75.14 111.125 -172.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mm -78.16 128.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.18 -0.464 . . . . 73.41 109.879 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -132.79 116.76 16.94 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.284 -0.635 . . . . 73.05 109.284 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 71.94 -64.42 0.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.003 0.814 . . . . 74.3 111.039 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -151.98 -46.61 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.585 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.663 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -93.81 164.33 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.732 -175.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 30' ' ' PHE . 7.2 p -90.29 134.59 28.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.009 -0.541 . . . . 73.15 110.412 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.663 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.7 pt -118.65 154.3 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 71.24 110.52 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.71 122.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.894 -0.41 . . . . 74.23 109.894 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 35.1 tt0 -95.75 -50.83 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.717 -0.393 . . . . 63.42 110.4 178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.55 142.49 29.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 73.22 111.662 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.77 74.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.944 -0.761 . . . . 71.33 108.944 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.75 150.37 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.468 -0.787 . . . . 74.44 111.299 -172.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.66 ' HB ' ' N ' ' A' ' 26' ' ' ARG . 5.8 t -111.54 163.07 14.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.044 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 pt20 -65.22 -23.71 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.187 0.517 . . . . 60.05 110.077 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 7.9 t70 -57.59 -60.84 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.855 . . . . 75.22 110.488 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.595 ' H ' HG22 ' A' ' 44' ' ' THR . 18.9 pt20 -70.23 -21.68 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 70.42 110.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 45.1 tp -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.252 -0.886 . . . . 72.43 110.848 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.38 -11.26 3.0 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.345 -0.931 . . . . 71.01 112.53 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.701 HG21 ' H ' ' A' ' 51' ' ' THR . 3.0 mm -85.81 179.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.171 -0.677 . . . . 73.44 109.171 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.701 ' H ' HG21 ' A' ' 50' ' ' ILE . 17.1 m -87.33 -32.9 19.4 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.18 0.808 . . . . 75.13 113.18 -168.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.72 -104.76 0.2 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 118.953 -1.594 . . . . 73.44 114.853 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 56' ' ' ASP . 4.7 m-20 -73.49 140.14 46.21 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.231 0.456 . . . . 71.4 112.231 -170.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.94 -64.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.736 -0.665 . . . . 72.33 112.588 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.535 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 13.2 t80 -99.29 -42.91 6.8 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.939 -0.704 . . . . 74.42 110.891 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.1 m-20 -52.25 -43.43 64.35 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.489 0.493 . . . . 74.13 111.415 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -114.62 14.45 17.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.051 0.453 . . . . 74.05 110.467 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m 60.79 24.18 14.1 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.015 0.746 . . . . 64.32 113.015 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.6 m -80.42 -0.02 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.292 . . . . 74.2 111.317 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.26 54.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.084 -0.507 . . . . 75.02 110.853 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.93 -23.29 1.89 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.876 -0.602 . . . . 72.13 111.431 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.661 ' HB1' HG13 ' A' ' 50' ' ' ILE . . . -57.78 -35.82 71.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 52.01 110.77 174.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -76.47 -23.34 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 72.43 110.674 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -33.4 74.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 60.5 110.355 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -86.82 -23.92 25.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 75.43 110.86 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.519 ' O ' HG21 ' A' ' 70' ' ' VAL . 2.4 m-85 -62.9 -44.78 95.16 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.425 -0.352 . . . . 72.13 111.525 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.775 HG11 ' HG3' ' A' ' 149' ' ' MET . 30.5 m -57.3 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 73.31 111.682 -175.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.96 -38.62 20.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.442 -0.345 . . . . 74.23 111.367 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 3.5 t70 -65.83 -34.07 77.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.362 -0.607 . . . . 55.53 109.362 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 66' ' ' PHE . 76.1 t -57.48 -41.48 78.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.744 -0.662 . . . . 72.22 110.179 174.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.64 -50.71 70.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.429 0.633 . . . . 73.33 109.914 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -54.29 -37.23 64.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.601 -1.181 . . . . 72.43 111.903 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 31.7 mmt180 -85.55 -45.44 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.311 0.486 . . . . 75.43 112.311 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 79' ' ' ASP . 79.1 p -84.25 -13.55 52.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.877 0.325 . . . . 74.24 111.877 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.56 -72.06 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.71 0.631 . . . . 73.44 111.012 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -134.88 56.37 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.959 -0.386 . . . . 74.23 109.959 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER 41.94 42.03 2.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.217 -0.901 . . . . 74.44 112.851 177.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -93.84 12.24 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.35 0.595 . . . . 74.43 110.195 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.601 ' HB3' HG21 ' A' ' 74' ' ' THR . 23.7 t70 -125.97 142.44 51.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 74.12 110.11 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 p -134.88 149.92 50.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.043 -0.526 . . . . 74.21 109.865 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 17.9 ptt180 -161.92 167.87 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 73.24 110.942 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -116.12 128.84 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 75.24 110.075 -176.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.25 146.99 45.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.716 0.293 . . . . 72.34 110.707 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.5 t -133.19 130.27 57.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.093 0.473 . . . . 75.51 110.824 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -133.6 145.26 49.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.074 -0.713 . . . . 72.32 109.074 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.4 t70 -90.9 97.6 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.385 -1.339 . . . . 73.23 107.385 169.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.64 108.31 19.6 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.712 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.629 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -111.39 134.5 52.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 74.55 110.573 178.044 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.535 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.9 p90 -145.73 -172.83 3.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.095 -0.957 . . . . 74.43 109.268 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.708 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 18.5 p -126.26 136.55 52.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.017 0.436 . . . . 73.31 111.097 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 98' ' ' THR . 80.2 m -116.51 132.48 56.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 72.11 110.526 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.7 m -72.03 103.89 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 65.42 109.81 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.627 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 59.8 ttt180 -83.7 135.28 34.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.912 -0.585 . . . . 75.45 110.598 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 119.45 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 75.34 110.463 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.59 2.63 67.34 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.593 -0.73 . . . . 72.05 111.46 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 93' ' ' ARG . . . -147.95 -159.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.183 -0.302 . . . . 73.43 110.183 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.68 -155.49 10.38 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.46 -0.656 . . . . 75.4 111.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.708 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 1.6 p -76.56 117.7 18.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.124 0.462 . . . . 73.41 110.561 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 90' ' ' THR . 12.9 m -101.97 141.27 35.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.046 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -74.97 130.43 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.154 -0.313 . . . . 72.42 110.154 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.1 mtt -135.16 111.13 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.185 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.4 p-10 -104.23 147.87 26.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.632 -0.713 . . . . 72.24 109.747 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 1.024 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.47 115.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 71.33 111.363 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 9.0 tt -65.49 121.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 74.22 109.981 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.522 HG21 HD23 ' A' ' 158' ' ' LEU . 23.0 pt -121.42 147.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.05 0.453 . . . . 73.44 111.618 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.55 ' HZ ' HD23 ' A' ' 133' ' ' LEU . 48.7 m-85 -94.18 102.79 14.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.623 -0.717 . . . . 63.23 110.452 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.587 ' HG ' ' HE1' ' A' ' 141' ' ' PHE . 8.9 tt -91.87 102.25 14.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.871 -0.604 . . . . 64.24 109.397 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 110' ' ' CYS . 50.0 tp60 -96.92 112.1 24.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.874 -0.603 . . . . 72.11 110.55 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.46 105.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.108 -0.701 . . . . 75.11 109.108 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.414 ' HB2' HE21 ' A' ' 108' ' ' GLN . 48.5 t -146.36 90.61 5.61 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.998 -0.546 . . . . 72.04 110.084 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.892 ' HB2' ' HB1' ' A' ' 114' ' ' ALA . 20.1 Cg_exo -67.24 157.66 60.69 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.582 2.188 . . . . 73.1 111.947 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.42 -56.05 4.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.921 -0.399 . . . . 74.11 109.921 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.93 53.33 4.72 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 65.04 111.536 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.892 ' HB1' ' HB2' ' A' ' 111' ' ' PRO . . . -113.28 177.23 4.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.705 0.288 . . . . 74.3 110.882 -176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -66.33 89.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.756 -0.656 . . . . 74.34 110.137 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.557 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 72.6 mt -52.82 -31.31 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 O-C-N 123.742 0.651 . . . . 74.33 112.417 -171.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -55.31 -65.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.729 0.299 . . . . 73.45 111.196 -178.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -79.5 -21.28 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 75.43 110.833 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.557 ' HD3' ' HA ' ' A' ' 116' ' ' ILE . 29.7 tttp -65.38 -38.99 91.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.343 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -22.06 55.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 71.42 110.058 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 117' ' ' LYS . 99.2 t -63.61 -43.08 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.453 -0.573 . . . . 64.32 109.453 175.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.495 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 31.1 m-85 -67.15 -26.61 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 73.51 111.802 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.11 75.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.387 0.613 . . . . 71.25 109.758 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 m -77.64 -31.38 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 65.44 109.823 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.608 ' HG ' HG12 ' A' ' 5' ' ' VAL . 12.9 m -67.59 -34.17 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.107 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.499 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -60.35 -39.48 87.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.018 0.437 . . . . 65.1 110.589 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.73 -38.11 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 75.35 110.321 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.71 -51.11 53.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 71.35 111.105 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.0 tp -61.14 -33.0 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.089 0.471 . . . . 74.41 110.178 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' A' ' 130' ' ' LYS . 19.5 ttpt -65.39 -46.47 79.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 75.4 110.204 176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.7 m -66.93 -38.26 85.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.654 . . . . 71.32 111.212 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 p -69.0 -31.46 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.866 0.321 . . . . 72.53 111.866 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.55 HD23 ' HZ ' ' A' ' 106' ' ' PHE . 11.0 mp -99.21 -28.08 13.51 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.391 -0.524 . . . . 75.21 112.034 -177.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 47.04 50.1 16.54 Favored Glycine 0 CA--C 1.521 0.46 0 O-C-N 123.388 0.43 . . . . 52.42 112.851 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.552 HG22 HG22 ' A' ' 138' ' ' ILE . 3.5 m -66.08 -46.18 78.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.388 . . . . 71.42 111.599 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.27 7.39 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.058 -0.592 . . . . 75.13 112.598 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -153.44 114.93 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.917 0.389 . . . . 72.42 110.577 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.552 HG22 HG22 ' A' ' 135' ' ' THR . 1.1 pp -150.69 159.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 75.14 110.138 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.478 ' HB2' HG23 ' A' ' 105' ' ' ILE . 3.3 mm? -97.28 98.94 10.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.495 -0.928 . . . . 74.01 108.495 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -104.15 119.34 38.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.445 -0.798 . . . . 72.2 109.184 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.587 ' HE1' ' HG ' ' A' ' 107' ' ' LEU . 9.4 p90 -132.38 143.78 50.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.031 -0.531 . . . . 74.02 110.856 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -97.65 111.15 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 71.45 109.673 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.503 HG13 ' HD1' ' A' ' 141' ' ' PHE . 35.7 m -104.87 150.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.756 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.882 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.6 p -140.43 -46.0 0.41 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.003 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.39 154.31 26.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.057 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 12.7 pt-20 -53.23 -39.46 63.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 64.42 111.291 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -64.01 -38.98 93.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.562 -0.29 . . . . 64.42 110.857 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.409 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 46.6 mt-10 -65.41 -34.24 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.554 . . . . 72.33 110.895 -177.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.775 ' HG3' HG11 ' A' ' 67' ' ' VAL . 23.9 ptp -95.96 12.72 29.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 74.5 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.2 m -92.54 164.65 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 72.24 111.084 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -60.85 -25.59 66.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 73.23 111.911 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -65.96 -58.96 4.34 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.625 0.231 . . . . 71.52 111.625 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.494 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 4.5 mm-40 -64.38 -38.54 91.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.755 0.28 . . . . 73.35 111.755 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 mt -59.95 -41.39 91.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.795 0.331 . . . . 74.44 110.566 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.23 -37.67 72.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.219 -0.446 . . . . 74.42 109.894 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.02 -49.15 77.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.667 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.504 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 10.6 mptt -66.33 -48.53 69.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.674 0.75 . . . . 73.42 110.73 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.522 HD23 HG21 ' A' ' 105' ' ' ILE . 38.5 mt -67.51 -15.35 63.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.236 -0.893 . . . . 72.42 111.694 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -90.99 -39.27 5.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.477 -0.868 . . . . 53.4 112.323 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 13.7 pt-20 -69.56 -32.74 71.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.902 0.351 . . . . 72.42 111.3 -177.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.768 ' HG3' ' H ' ' A' ' 162' ' ' TYR . 16.1 pttp -48.1 -63.79 0.97 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.451 0.469 . . . . 74.3 112.242 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.768 ' H ' ' HG3' ' A' ' 161' ' ' LYS . 48.6 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.115 0.484 . . . . 75.31 110.931 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 121.499 0.666 . . . . 72.44 109.951 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -90.05 -16.73 29.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.362 -0.835 . . . . 63.42 111.215 -173.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 92.28 0.76 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.274 -0.965 . . . . 63.34 111.921 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.75 128.45 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.79 0.328 . . . . 73.43 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.5 ptm -107.08 153.98 21.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.301 -0.409 . . . . 73.25 110.163 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.694 HG13 ' HB ' ' A' ' 37' ' ' VAL . 31.5 m -117.0 143.81 26.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.607 -0.269 . . . . 72.45 110.363 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.604 ' O ' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.82 151.61 91.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.469 -0.567 . . . . 75.13 109.469 178.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.14 -34.53 87.98 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.03 2.486 . . . . 55.14 114.105 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.6 -10.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.878 -0.329 . . . . 72.31 111.788 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.604 HG21 ' O ' ' A' ' 8' ' ' ASP . 32.7 m -58.55 -49.55 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.897 -0.721 . . . . 73.11 109.411 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.87 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 44.3 mt-30 -71.94 -35.54 69.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.563 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 10.4 m -59.71 -31.97 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.055 -0.521 . . . . 75.25 110.288 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 68.8 m -79.21 -32.44 44.02 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.342 -0.39 . . . . 73.2 111.482 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.87 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 51.9 m-85 -62.2 -40.49 96.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.518 0.675 . . . . 73.13 109.962 175.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.42 -15.99 53.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.449 -0.796 . . . . 73.53 110.385 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 13' ' ' THR . 29.6 ttmt -73.91 -28.26 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 75.43 110.772 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 3.6 pp -93.21 -31.35 14.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.909 0.385 . . . . 72.32 110.614 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 m -76.77 -10.44 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 71.3 112.124 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.72 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.26 0.467 . . . . 64.15 112.26 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.26 -84.57 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.875 -1.155 . . . . 54.41 113.685 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.9 tpt180 -94.2 -18.97 21.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.789 0.292 . . . . 72.54 111.789 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.1 mtpm? 74.1 -44.68 0.57 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.913 0.485 . . . . 73.22 110.101 -173.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.19 18.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 74.43 110.643 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.631 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -75.78 -166.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.669 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.677 ' HD3' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -40.31 125.17 2.04 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.71 0.631 . . . . 75.53 111.642 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 80.6 m-85 -97.0 163.47 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.0 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.583 HG13 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -107.04 113.95 44.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.788 -0.642 . . . . 72.33 111.507 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mm -109.56 122.38 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.282 -0.872 . . . . 74.13 109.062 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' HG13 ' A' ' 28' ' ' ILE . 3.7 p90 -137.63 142.55 41.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.381 0.61 . . . . 75.42 112.156 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HG3' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mptm? -127.27 178.33 6.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.566 -0.743 . . . . 73.22 110.52 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.423 HD11 ' OG ' ' A' ' 125' ' ' SER . 13.3 mm -92.56 123.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.915 -0.584 . . . . 72.34 110.539 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 38' ' ' ILE . 17.1 t70 -108.5 96.26 6.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.86 -0.793 . . . . 73.44 108.86 173.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 68.05 -69.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.395 -0.821 . . . . 74.2 111.351 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.47 -14.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.937 0.347 . . . . 74.44 111.937 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -116.81 154.35 30.88 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.986 -0.686 . . . . 74.23 111.517 -177.444 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.694 ' HB ' HG13 ' A' ' 7' ' ' VAL . 40.9 t -90.05 121.95 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 70.33 109.965 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.675 HD12 ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -119.77 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.853 0.359 . . . . 72.55 110.739 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.22 121.1 14.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 72.41 110.478 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -91.29 -55.76 3.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.052 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.21 141.08 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 64.45 111.194 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.88 81.09 1.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.635 -0.711 . . . . 75.5 109.117 172.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -134.63 141.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.877 -0.601 . . . . 74.31 110.79 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.631 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 3.6 t -100.75 156.78 17.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.363 -0.38 . . . . 74.03 110.029 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.734 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 10.8 pt20 -68.96 -19.3 64.16 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 120.882 0.372 . . . . 74.12 110.312 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.12 -53.57 56.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.796 -0.638 . . . . 63.24 110.346 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.614 ' H ' HG21 ' A' ' 44' ' ' THR . 4.2 pt20 -80.31 -17.48 51.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.386 -0.37 . . . . 75.42 110.653 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.734 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 55.6 tp -65.63 -15.65 62.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.8 -0.636 . . . . 75.25 110.352 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.88 36.5 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.837 -0.697 . . . . 74.53 112.023 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.609 HG22 ' H ' ' A' ' 51' ' ' THR . 16.1 mm -92.35 171.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.087 -0.709 . . . . 72.44 109.087 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.609 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.1 m -58.25 -59.5 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.716 0.265 . . . . 74.3 111.716 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.23 -91.71 0.13 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 63.14 112.127 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.667 ' HB2' ' H ' ' A' ' 57' ' ' ASP . 1.7 m-20 -65.32 133.89 52.39 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.685 -0.487 . . . . 74.55 109.685 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.18 -64.53 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.118 0.785 . . . . 75.12 113.118 -172.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.973 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 12.1 t80 -109.32 -17.12 13.89 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.543 -0.723 . . . . 71.21 110.528 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.19 -55.66 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.1 -0.5 . . . . 74.21 110.678 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.667 ' H ' ' HB2' ' A' ' 53' ' ' ASP . 37.0 t0 -94.93 7.2 46.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.355 0.598 . . . . 75.11 109.627 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.0 m 61.72 83.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 73.42 112.186 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -125.85 2.49 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.695 -0.684 . . . . 74.31 110.268 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -54.94 -24.95 26.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.856 -0.611 . . . . 64.01 111.209 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.09 -27.2 63.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.213 -0.449 . . . . 75.45 111.275 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.52 81.23 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.069 0.461 . . . . 60.14 110.008 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.67 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 99.5 m-85 -79.8 -22.37 43.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.816 -0.629 . . . . 73.43 110.351 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -38.94 92.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.709 -0.678 . . . . 75.44 110.156 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.04 -22.38 25.51 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.866 0.365 . . . . 75.52 110.384 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.67 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 73.5 t80 -58.8 -49.17 78.69 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 123.181 0.592 . . . . 73.5 111.29 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.8 m -60.32 -24.68 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 74.42 110.963 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -77.54 -49.85 13.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.091 -0.504 . . . . 63.34 111.0 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.546 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 24.8 t70 -57.08 -42.85 81.46 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.304 -0.628 . . . . 75.13 109.304 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG11 HH22 ' A' ' 81' ' ' ARG . 73.5 t -57.68 -51.63 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.468 -0.787 . . . . 75.04 110.832 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -20.23 61.41 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.939 -0.705 . . . . 75.03 111.019 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 m -75.31 -49.77 18.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.538 -0.301 . . . . 74.35 110.868 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 13.0 ptm180 -73.74 -31.59 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.986 0.422 . . . . 72.33 111.201 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -76.81 -27.56 55.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 74.22 109.858 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 64.49 -77.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.263 -0.881 . . . . 70.03 111.028 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -105.05 -76.63 0.6 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.903 -0.406 . . . . 73.42 109.903 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -165.03 31.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.387 0.613 . . . . 73.23 109.707 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -81.66 -49.15 10.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.457 -0.792 . . . . 72.51 111.38 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -77.4 140.95 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.03 0.443 . . . . 73.41 110.525 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 p -156.05 145.29 20.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.946 -0.57 . . . . 71.53 109.806 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.527 HH22 HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -162.99 168.33 21.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.994 0.426 . . . . 73.52 111.806 -176.338 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.411 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 36.6 m-85 -114.1 141.87 46.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 73.43 110.466 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -149.4 157.55 43.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.457 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.522 HG23 ' HE1' ' A' ' 15' ' ' PHE . 84.4 t -136.91 131.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.508 -0.315 . . . . 72.4 110.454 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.79 147.06 49.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.18 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.769 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 23.0 t70 -95.64 100.48 12.21 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.869 -0.789 . . . . 64.01 108.869 171.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.513 ' HE1' ' CZ ' ' A' ' 63' ' ' PHE . 32.9 m-85 -91.29 145.94 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.208 0.528 . . . . 74.55 112.285 -175.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.755 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 36.7 ttmt -128.38 116.62 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.388 -0.823 . . . . 75.21 109.903 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.973 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.6 p90 -126.54 177.42 6.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.893 0.377 . . . . 75.42 110.874 -173.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -127.88 122.67 33.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 75.21 109.932 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 50.2 t -109.19 141.51 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.352 -0.386 . . . . 75.23 110.513 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 p -72.83 117.11 14.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 74.33 109.841 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.681 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.5 tmt_? -94.01 121.17 35.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.298 -0.631 . . . . 71.43 109.298 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.08 113.53 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.158 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.57 7.87 58.79 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.803 -0.713 . . . . 51.22 112.078 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 93' ' ' ARG . . . -147.57 -160.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.972 -0.381 . . . . 75.12 109.972 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.95 -153.44 25.37 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.625 -0.798 . . . . 75.12 112.145 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 p -81.34 121.03 25.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.144 0.497 . . . . 61.13 111.01 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -95.19 111.52 23.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.609 . . . . 42.1 110.992 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.755 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 6.3 tmmm? -85.79 116.66 24.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.006 -0.543 . . . . 75.52 109.797 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.8 mtt -135.9 156.82 48.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.153 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.5 p30 -127.77 153.0 47.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.462 -0.335 . . . . 73.4 110.321 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.773 ' HA ' ' HZ3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -165.58 122.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.91 0.386 . . . . 70.05 111.484 176.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.769 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 14.7 tt -69.82 132.43 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.672 -0.694 . . . . 62.34 110.064 174.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 139' ' ' LEU . 32.4 pt -137.22 158.63 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 75.42 112.044 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.669 ' HB3' ' HG2' ' A' ' 140' ' ' GLN . 2.8 m-85 -86.72 132.31 33.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.153 -0.931 . . . . 74.25 111.4 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 83' ' ' ALA . 7.5 tt -112.56 104.24 12.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.513 -0.767 . . . . 71.11 109.751 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.504 HE21 ' HB3' ' A' ' 110' ' ' CYS . 45.6 tt0 -102.31 104.69 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 74.04 111.105 176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.7 mt -91.21 93.08 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.91 -0.774 . . . . 75.52 108.91 171.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.504 ' HB3' HE21 ' A' ' 108' ' ' GLN . 51.6 t -133.53 97.21 16.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.32 -0.4 . . . . 75.43 110.973 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.752 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 40.6 Cg_exo -60.93 120.27 7.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.024 2.483 . . . . 73.4 111.424 173.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.26 -25.58 60.75 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.638 -0.425 . . . . 61.2 110.799 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.11 10.9 66.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 54.44 112.264 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.752 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -79.18 176.78 9.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 71.31 110.859 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.2 m -57.45 107.4 0.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 65.14 110.959 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 86.3 mt -56.85 -43.21 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.276 0.843 . . . . 72.34 113.276 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.77 -51.24 70.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 72.25 111.385 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -85.21 -21.2 29.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.476 -0.329 . . . . 64.42 110.858 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -64.52 -39.79 94.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.466 -0.568 . . . . 72.24 109.466 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 53.6 mtt -59.79 -33.38 71.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.507 -0.77 . . . . 72.23 110.546 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.56 -48.94 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 75.12 110.117 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 75.11 111.067 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.23 89.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 70.54 110.697 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 m -69.72 -22.66 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 54.5 110.571 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.423 ' OG ' HD11 ' A' ' 32' ' ' ILE . 21.2 m -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.726 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.59 86.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.092 0.472 . . . . 64.42 110.616 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.44 -39.68 77.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 74.51 110.538 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.92 -54.79 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 61.45 111.653 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.439 ' O ' HD11 ' A' ' 133' ' ' LEU . 5.4 tp -60.29 -31.75 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.452 -0.34 . . . . 64.22 110.718 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 24.8 ttpt -71.86 -43.57 65.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.978 -0.379 . . . . 74.4 109.978 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.7 m -58.75 -39.08 79.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 65.52 111.421 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 p -69.29 -38.57 78.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.398 -0.365 . . . . 73.3 111.609 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 15' ' ' PHE . 11.2 mp -88.67 -26.61 21.76 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.67 -0.412 . . . . 74.02 111.986 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.429 ' C ' ' HG1' ' A' ' 135' ' ' THR . . . 72.46 -90.5 0.54 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.794 -0.717 . . . . 73.21 111.388 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.429 ' HG1' ' C ' ' A' ' 134' ' ' GLY . 43.7 p 45.53 -102.11 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.76 0.824 . . . . 61.54 112.718 178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.55 -24.37 32.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.105 -0.569 . . . . 55.32 112.884 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.579 ' H ' ' HD3' ' A' ' 137' ' ' LYS . 0.2 OUTLIER -101.67 32.18 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.309 0.576 . . . . 74.33 110.638 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.4 pp -109.97 161.87 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.425 -0.807 . . . . 64.22 110.074 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.648 HD23 ' HE3' ' A' ' 161' ' ' LYS . 3.0 mm? -101.09 138.66 37.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.321 -0.622 . . . . 73.01 109.321 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.669 ' HG2' ' HB3' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -132.33 112.52 12.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 75.54 110.031 -175.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.453 ' HZ ' HD11 ' A' ' 107' ' ' LEU . 37.4 p90 -110.9 131.62 54.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 74.32 110.657 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -102.75 115.03 29.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.621 -0.718 . . . . 74.44 109.874 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.421 HG12 ' HD2' ' A' ' 141' ' ' PHE . 33.7 m -119.94 149.36 22.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.203 -0.453 . . . . 72.13 111.537 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.522 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 17.5 p -138.15 2.95 2.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.781 -0.645 . . . . 71.51 110.802 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.97 151.03 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 74.44 110.476 -175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.909 ' HA ' ' HE2' ' A' ' 149' ' ' MET . 7.1 pt-20 -63.13 -41.06 99.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.258 0.466 . . . . 71.41 112.258 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.5 t -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.224 0.535 . . . . 74.43 110.357 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.3 2.64 20.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.838 -0.619 . . . . 74.25 111.889 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.909 ' HE2' ' HA ' ' A' ' 146' ' ' GLU . 26.6 ptt? -125.89 14.35 7.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.272 0.558 . . . . 75.04 110.14 175.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.6 m -75.91 169.7 17.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 75.2 110.405 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -57.0 -26.66 60.61 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.256 0.465 . . . . 75.35 112.256 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -55.25 -48.66 73.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.767 0.318 . . . . 73.33 110.838 172.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -59.1 -46.24 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.815 -0.63 . . . . 71.31 111.708 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 99.1 mt -58.31 -45.93 87.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 72.21 110.595 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 155' ' ' LEU . 4.6 tt -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.628 -0.508 . . . . 75.52 109.628 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -55.77 -59.64 4.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.779 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.731 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 3.8 mptp? -74.81 -22.74 58.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.585 0.707 . . . . 74.02 110.783 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.4 mp -70.51 -30.21 66.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.46 -0.791 . . . . 74.14 110.639 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.34 -52.39 2.03 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.678 -0.772 . . . . 64.44 112.937 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.731 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 11.0 pt-20 -52.78 -41.92 64.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.888 1.07 . . . . 75.2 113.888 -168.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.648 ' HE3' HD23 ' A' ' 139' ' ' LEU . 0.8 OUTLIER -66.36 -18.8 65.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.627 0.603 . . . . 73.31 112.627 -172.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 112.647 0.61 . . . . 71.24 112.647 175.267 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 52.43 111.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -99.26 -5.32 30.05 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.822 0.344 . . . . 73.14 110.296 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.67 89.52 1.43 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.202 -0.999 . . . . 74.23 112.993 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.01 123.97 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.784 . . . . 73.43 108.882 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.417 ' HG3' ' CB ' ' A' ' 36' ' ' LYS . 23.8 ptt? -101.36 171.08 7.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.9 0.381 . . . . 62.43 110.932 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 132' ' ' SER . 7.7 p -115.8 129.19 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.275 -0.421 . . . . 71.32 111.154 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 10' ' ' ASP . 19.9 t70 -65.09 137.35 97.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.35 110.498 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.38 -36.39 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.146 2.564 . . . . 75.12 113.568 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 4.0 m-20 -68.79 -17.7 64.07 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.745 0.276 . . . . 74.31 111.745 -174.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 HG12 ' A' ' 37' ' ' VAL . 91.0 t -58.95 -50.47 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 75.04 109.722 174.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.97 -35.62 80.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 74.3 110.689 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -64.07 -26.24 68.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.304 0.573 . . . . 63.22 110.77 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' ' 28' ' ' ILE . 50.9 m -84.38 -28.04 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 71.31 110.891 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.675 ' HE1' HG13 ' A' ' 84' ' ' VAL . 24.5 m-85 -71.13 -28.15 64.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.49 -0.323 . . . . 74.23 110.508 174.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.2 mm100 -57.85 -54.21 49.49 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.42 112.229 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -65.05 -6.6 9.18 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 73.42 111.65 -175.263 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 86' ' ' ASP . 9.6 tt -97.52 -56.36 2.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.565 -0.532 . . . . 52.45 109.565 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -71.06 -44.26 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.887 -0.597 . . . . 73.1 112.065 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 8.0 pt-20 -91.83 3.25 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 74.15 109.507 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.25 -117.17 1.82 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.352 -0.84 . . . . 61.25 111.108 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -111.26 -70.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.901 -0.32 . . . . 72.44 110.854 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.711 ' HG3' ' H ' ' A' ' 24' ' ' GLU . 17.8 pttp 175.83 -73.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.647 -0.706 . . . . 75.25 110.273 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 22.4 mt-10 -81.49 23.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 74.0 111.199 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -71.7 -169.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.977 -0.556 . . . . 75.33 109.985 178.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 3.1 ptm180 -58.04 119.35 6.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.083 -0.34 . . . . 72.41 110.083 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -99.25 178.23 4.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.896 -0.721 . . . . 74.2 111.161 -176.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.756 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -111.32 132.25 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.607 -0.724 . . . . 72.31 112.203 -164.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 119.96 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.482 -0.933 . . . . 74.32 108.482 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.756 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.1 p90 -138.07 147.23 43.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.493 0.663 . . . . 75.21 112.54 -174.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HE3' ' HD3' ' A' ' 81' ' ' ARG . 4.8 mptt -133.55 176.82 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.076 -0.965 . . . . 74.51 109.865 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG12 ' CE1' ' A' ' 122' ' ' TYR . 28.1 mm -88.71 131.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.307 0.575 . . . . 74.35 111.424 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.473 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.0 t70 -125.42 115.43 20.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.25 -0.886 . . . . 74.45 108.961 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 67.5 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.458 0.474 . . . . 72.21 110.972 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -150.5 18.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.465 0.65 . . . . 71.44 110.287 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -142.97 155.43 44.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.748 -0.464 . . . . 75.42 109.748 174.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG23 ' HD2' ' A' ' 30' ' ' PHE . 8.1 p -85.3 134.74 26.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.309 -0.405 . . . . 74.4 110.632 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.0 pt -121.08 160.41 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 54.41 111.148 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 28' ' ' ILE . 95.6 t -84.4 120.85 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.922 -0.581 . . . . 71.34 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -91.62 -51.07 5.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.907 -0.588 . . . . 75.14 110.158 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.33 145.92 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 55.33 111.858 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -129.17 92.2 3.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.439 -0.8 . . . . 63.14 108.948 170.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 47' ' ' GLN . 7.6 p -146.85 141.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 75.0 110.742 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.533 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 5.1 t -99.99 159.76 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.569 . . . . 75.45 109.465 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.603 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 27.9 pt20 -67.88 -23.02 65.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.479 -0.489 . . . . 71.54 110.23 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.47 -46.04 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.188 -0.914 . . . . 74.22 111.396 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' HG23 ' A' ' 43' ' ' VAL . 3.1 pt20 -91.78 -11.61 36.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 72.22 112.543 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.603 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 3.8 pp -84.99 -14.51 47.24 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.128 -0.629 . . . . 72.05 110.874 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.87 -17.14 2.8 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.296 -0.954 . . . . 74.22 113.097 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.5 HG23 ' H ' ' A' ' 51' ' ' THR . 24.1 mm -86.45 167.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.222 -0.659 . . . . 73.34 109.222 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.5 ' H ' HG23 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -63.92 -43.24 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.946 0.35 . . . . 74.31 111.946 -177.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.82 -65.17 0.6 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.017 -1.087 . . . . 74.03 113.955 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.983 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 8.3 t70 -65.97 130.67 44.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 122.304 0.241 . . . . 62.21 110.728 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.15 -65.73 0.65 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.434 0.901 . . . . 74.42 113.434 -167.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.591 ' CB ' ' HA ' ' A' ' 89' ' ' PHE . 2.0 t80 -122.28 -16.96 7.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.176 -0.609 . . . . 74.45 112.334 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.55 -34.02 41.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.836 -0.802 . . . . 74.34 108.836 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.983 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 1.2 t70 -93.99 -25.55 17.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.938 -1.028 . . . . 63.51 109.829 170.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t 77.98 52.8 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.708 -1.133 . . . . 65.04 111.248 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -76.93 2.24 15.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.721 0.772 . . . . 70.35 109.027 168.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 3.2 tmmm? -44.89 -28.48 0.66 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.119 -1.4 . . . . 74.34 111.825 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.15 -23.9 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.143 0.423 . . . . 63.5 112.143 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.009 0.433 . . . . 75.1 111.543 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -61.7 -22.9 65.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 74.11 111.611 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.49 -34.9 78.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 72.45 111.032 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.95 -31.74 19.25 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.524 -0.47 . . . . 75.43 111.159 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.457 ' O ' HG21 ' A' ' 70' ' ' VAL . 24.5 m-85 -57.83 -44.57 86.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.87 0.322 . . . . 73.44 111.87 -177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.665 HG12 ' HG3' ' A' ' 149' ' ' MET . 28.2 m -58.44 -30.33 40.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.438 . . . . 72.44 111.568 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -81.57 -45.88 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.153 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 6.7 t0 -55.24 -46.18 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.935 -0.765 . . . . 72.34 108.935 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 66' ' ' PHE . 77.3 t -56.74 -46.38 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.268 -0.878 . . . . 74.21 111.503 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -78.68 -29.89 45.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.01 -1.076 . . . . 73.41 110.983 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -70.12 -38.32 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 73.23 111.619 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -84.0 -13.52 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.882 -178.345 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.4 ' N ' ' HD3' ' A' ' 73' ' ' ARG . 88.2 m -83.77 -37.35 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.034 -0.266 . . . . 72.02 111.118 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 68.5 -73.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.661 0.615 . . . . 64.43 112.661 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -84.76 -4.78 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.822 0.305 . . . . 74.32 111.822 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.9 mt 61.97 21.19 12.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.571 0.544 . . . . 72.4 111.752 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -96.14 30.02 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.897 0.379 . . . . 74.41 111.245 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -102.98 142.54 33.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 75.23 111.054 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.9 m -143.84 139.68 29.41 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.733 -1.21 . . . . 73.14 107.733 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.732 ' HG2' HD13 ' A' ' 109' ' ' ILE . 13.3 ptp180 -162.94 175.86 10.75 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.307 -0.557 . . . . 73.33 111.245 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.439 ' HE1' ' HB3' ' A' ' 122' ' ' TYR . 47.7 m-85 -124.47 129.1 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 75.31 110.042 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.39 136.62 43.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.401 -0.592 . . . . 74.33 109.401 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG13 ' HE1' ' A' ' 15' ' ' PHE . 59.8 t -123.31 130.32 74.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.531 -0.467 . . . . 72.2 111.364 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.82 143.49 45.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.582 -0.735 . . . . 75.01 109.447 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.672 ' HB2' HD23 ' A' ' 18' ' ' LEU . 11.8 t70 -99.66 100.16 11.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.884 -1.154 . . . . 75.24 107.884 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.569 ' HD2' HD12 ' A' ' 105' ' ' ILE . 6.1 m-85 -99.55 141.56 32.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 74.41 111.782 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.96 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 4.0 ttpp -119.41 117.53 28.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.289 -0.869 . . . . 75.11 110.831 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.591 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 4.2 p90 -121.59 172.98 7.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.581 -0.736 . . . . 74.3 110.23 -174.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.751 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 21.7 p -132.41 132.22 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.079 -0.509 . . . . 71.31 110.481 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -129.22 142.81 50.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.249 -0.432 . . . . 74.01 109.902 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -60.38 117.22 4.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.401 . . . . 55.14 111.35 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.572 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 56.6 ttt180 -88.76 136.33 33.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 74.43 109.591 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.92 114.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.152 0.501 . . . . 75.14 111.097 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.88 13.78 81.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.908 -0.663 . . . . 73.11 112.584 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.72 -166.56 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.36 -0.237 . . . . 73.24 110.36 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.66 -142.77 10.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.977 -0.63 . . . . 71.34 112.579 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.751 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 25.8 p -88.44 118.29 27.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.885 0.374 . . . . 74.45 111.366 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 90' ' ' THR . 16.0 m -70.11 113.46 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 74.51 109.745 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.485 ' HD2' ' HD2' ' A' ' 88' ' ' LYS . 28.1 ttpt -100.98 112.82 25.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.26 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.5 mtt -131.41 139.71 49.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 75.23 110.469 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.96 ' HB3' ' HB2' ' A' ' 88' ' ' LYS . 1.4 p30 -125.54 130.21 51.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 73.55 110.259 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.894 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -162.35 154.24 18.69 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.985 0.898 . . . . 73.25 112.555 177.001 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 3.7 tt -76.48 128.89 37.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 113.709 -1.587 . . . . 75.45 112.011 -174.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.719 HG22 ' HB2' ' A' ' 139' ' ' LEU . 24.6 pt -123.09 135.94 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.501 -0.772 . . . . 75.25 111.021 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.584 ' HE1' HG23 ' A' ' 138' ' ' ILE . 41.3 m-85 -87.87 114.14 24.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.419 -0.809 . . . . 71.42 110.376 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.1 102.5 14.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.112 -0.699 . . . . 74.21 109.112 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -97.22 113.42 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 73.34 110.523 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.732 HD13 ' HG2' ' A' ' 81' ' ' ARG . 58.1 mt -86.28 109.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.548 -0.538 . . . . 74.43 109.548 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' A' ' 119' ' ' LYS . 50.5 t -140.62 87.36 11.55 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.541 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.0 Cg_exo -65.39 137.29 50.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.877 2.384 . . . . 73.32 111.309 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.31 -55.72 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.163 -0.31 . . . . 75.23 110.163 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 44.63 3.35 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.782 -0.645 . . . . 75.41 112.199 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -102.89 176.6 5.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.746 0.308 . . . . 72.11 110.307 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.615 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 52.8 m -66.33 103.92 1.11 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.751 -0.659 . . . . 72.02 110.36 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 120' ' ' MET . 86.1 mt -53.44 -43.12 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 73.0 112.631 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -52.92 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.738 -0.385 . . . . 65.3 111.84 -174.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.615 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 22.1 ptmt -68.48 -34.43 75.91 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 74.54 110.169 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.642 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 36.2 ttpt -70.66 -32.36 69.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.213 0.53 . . . . 74.41 109.669 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.545 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.9 ttt -64.77 -34.0 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 74.4 109.904 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.58 -47.88 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.075 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.468 ' CE1' HG12 ' A' ' 32' ' ' ILE . 56.9 m-85 -62.8 -39.39 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.832 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.11 -32.43 69.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.516 . . . . 64.31 110.831 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 m -77.12 -18.22 58.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 73.12 110.334 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.42 ' OG ' HD13 ' A' ' 32' ' ' ILE . 13.6 m -79.77 -30.29 40.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 75.23 110.9 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.437 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . . . -52.96 -45.02 67.56 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.904 0.383 . . . . 74.33 110.993 176.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.27 92.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.907 -0.588 . . . . 65.25 110.819 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.52 47.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.942 -0.572 . . . . 73.12 111.546 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.44 HD11 HG12 ' A' ' 11' ' ' VAL . 3.5 tp -62.16 -32.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.165 0.507 . . . . 73.41 110.756 -175.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -72.87 -40.45 65.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.133 -0.485 . . . . 75.35 110.126 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.0 m -68.05 -40.38 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 73.01 110.772 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.553 ' HB3' HG13 ' A' ' 7' ' ' VAL . 15.6 p -66.56 -26.92 67.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.614 -0.266 . . . . 74.45 111.23 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.565 HD23 ' HZ ' ' A' ' 106' ' ' PHE . 10.9 mp -95.89 -15.41 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.862 -0.335 . . . . 73.13 111.129 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.4 26.62 74.38 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.99 -0.55 . . . . 73.23 112.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.5 m 68.07 -76.82 0.05 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.802 0.441 . . . . 75.34 110.846 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.31 78.45 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.08 -0.581 . . . . 74.24 112.748 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? 60.63 91.65 0.05 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.113 0.565 . . . . 73.32 111.148 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.618 HG22 HG21 ' A' ' 104' ' ' ILE . 2.6 pp -134.68 169.06 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.759 -0.655 . . . . 74.24 110.829 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.719 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.0 mm? -117.9 146.66 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 74.25 108.962 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.04 131.93 31.39 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 72.03 109.828 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' A' ' 105' ' ' ILE . 51.2 p90 -137.28 143.09 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.248 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -103.18 124.71 49.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 74.04 110.414 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.6 m -115.48 140.13 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.257 -0.429 . . . . 71.0 110.681 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.5 m -122.59 -33.97 3.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.92 -0.582 . . . . 75.2 109.944 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -107.81 154.76 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 53.12 110.222 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.46 ' H ' ' HG3' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -71.88 -21.7 61.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.05 0.389 . . . . 71.21 112.05 -175.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 49.5 m -74.01 -17.56 60.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.954 0.406 . . . . 73.2 110.813 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.26 -22.84 28.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.908 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.665 ' HG3' HG12 ' A' ' 67' ' ' VAL . 22.9 ptp -96.16 14.43 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 75.04 110.199 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.5 m -81.1 167.08 20.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 72.22 110.538 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -63.62 -29.87 71.05 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.082 0.771 . . . . 74.1 113.082 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -65.92 -45.19 82.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.872 -0.331 . . . . 75.24 110.987 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 20.6 mm-40 -72.24 -30.82 65.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.801 0.297 . . . . 62.03 111.801 -176.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.97 -46.3 88.37 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.669 -0.493 . . . . 71.35 109.669 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.5 tt -62.91 -40.38 97.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 74.42 109.792 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -55.52 -55.13 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 71.01 111.422 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 42.1 mmtt -69.03 -39.31 79.29 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 75.31 110.248 -175.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.09 -15.05 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 72.11 110.442 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.69 -44.06 3.76 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.087 -0.577 . . . . 44.0 112.365 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -70.95 -12.48 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.573 -0.369 . . . . 73.51 111.506 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -74.97 -17.88 60.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 75.32 111.455 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.543 ' HE1' ' HZ ' ' A' ' 89' ' ' PHE . 15.4 p90 . . . . . 0 C--N 1.332 -0.181 0 C-N-CA 120.618 -0.433 . . . . 74.14 111.516 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.588 ' HB2' ' HE3' ' A' ' 120' ' ' MET . 1.2 t . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.244 -1.021 . . . . 72.21 108.244 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -92.76 14.04 18.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.911 -1.04 . . . . 64.45 110.466 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.64 67.1 1.32 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.589 -1.005 . . . . 60.15 110.589 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 36' ' ' LYS . 98.4 t -56.9 127.25 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.218 0.532 . . . . 75.43 110.307 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 54.2 mtt -98.53 158.76 15.4 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.519 -0.764 . . . . 75.24 109.312 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.825 ' HB ' HG21 ' A' ' 11' ' ' VAL . 34.6 m -109.29 131.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 116.395 -0.366 . . . . 74.11 110.042 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.688 ' HB2' HG22 ' A' ' 38' ' ' ILE . 15.7 t70 -61.52 136.97 94.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.377 -0.601 . . . . 54.12 109.377 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -29.68 6.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.386 2.724 . . . . 73.32 114.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -82.13 -14.59 55.5 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.349 0.5 . . . . 71.11 112.349 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.825 HG21 ' HB ' ' A' ' 7' ' ' VAL . 33.1 m -59.45 -49.43 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.404 -0.518 . . . . 74.24 111.483 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.76 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 49.0 mt-30 -73.56 -26.54 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 72.33 110.377 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -65.35 -41.67 93.61 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.818 -0.628 . . . . 73.42 109.713 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -71.35 -27.97 63.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 74.42 111.424 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.76 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 24.2 m-85 -59.38 -57.99 10.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 73.33 109.83 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.27 -38.13 85.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 74.14 110.588 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 35.4 ttmt -45.4 -50.67 12.18 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.268 -0.878 . . . . 73.53 112.16 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.27 -34.8 18.79 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.974 -0.29 . . . . 74.32 111.183 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -69.38 -35.68 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.409 0.522 . . . . 75.32 112.409 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -11.17 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.503 -0.479 . . . . 73.34 110.868 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.74 -89.38 0.42 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 109.917 -1.273 . . . . 72.43 109.917 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 99.2 mtt180 -108.47 -73.11 0.7 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.103 -1.073 . . . . 75.14 108.103 164.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HZ3' ' CG ' ' A' ' 102' ' ' ASP . 20.4 pttp 139.71 -32.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.721 2.008 . . . . 70.12 109.392 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 18.0 mp0 -84.14 0.73 47.43 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.72 0.772 . . . . 71.03 109.11 172.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -106.63 126.89 52.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.75 -1.114 . . . . 74.54 109.573 -176.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 1.025 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 14.9 ttt180 68.25 116.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.286 0.991 . . . . 74.03 110.399 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 53.7 m-85 -104.36 168.32 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.615 -0.434 . . . . 74.53 110.652 -175.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.606 HD13 HG21 ' A' ' 39' ' ' VAL . 10.6 tp -133.7 137.1 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.355 0.597 . . . . 63.53 111.422 -171.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.71 135.59 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 52.22 110.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' HB2' ' HB3' ' A' ' 82' ' ' TYR . 92.5 m-85 -116.46 136.62 52.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 74.33 110.717 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . 3.5 tptm -127.01 160.72 30.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.239 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 HD12 ' OG ' ' A' ' 125' ' ' SER . 18.7 mm -99.12 122.48 50.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.319 0.58 . . . . 72.02 110.641 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.591 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 11.5 t70 -124.08 141.28 52.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.595 -1.261 . . . . 74.44 107.595 173.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 59.26 -97.44 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 63.11 110.19 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -147.15 22.02 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.575 . . . . 74.24 110.306 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.591 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -136.98 159.4 41.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.537 -0.302 . . . . 74.24 110.295 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.439 ' HA ' HD13 ' A' ' 32' ' ' ILE . 9.5 p -92.49 132.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.379 0.609 . . . . 74.3 110.909 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.688 HG22 ' HB2' ' A' ' 8' ' ' ASP . 50.8 pt -126.83 171.41 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 73.34 110.516 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG21 HD13 ' A' ' 28' ' ' ILE . 2.2 p -84.77 119.34 33.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.001 -0.545 . . . . 72.52 109.825 174.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 42.7 tt0 -86.86 -51.4 6.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 73.34 110.498 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.89 151.55 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 71.04 111.28 -172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.57 74.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.75 -0.833 . . . . 73.43 108.75 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.16 122.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.789 . . . . 71.41 111.305 -173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 1.025 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 1.7 t -114.82 148.43 38.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.056 175.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.5 pt20 -82.16 -18.32 43.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.252 -0.431 . . . . 75.34 111.124 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -44.74 79.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.588 -0.278 . . . . 73.53 110.631 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.924 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.6 pt20 -78.2 -23.26 47.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.262 0.553 . . . . 73.13 109.801 175.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.599 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 48.6 tp -65.4 -21.01 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.203 -0.908 . . . . 73.45 110.63 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.94 7.63 25.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.383 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.598 HG22 ' H ' ' A' ' 51' ' ' THR . 13.1 mm -90.33 171.98 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 75.11 108.943 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.598 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.7 p -71.71 -68.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -171.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.34 -75.79 0.03 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.274 -1.441 . . . . 70.32 114.545 -176.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' H ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 m-20 -108.45 139.92 42.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.801 0.301 . . . . 63.0 110.636 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 59' ' ' SER . 24.9 t70 -57.43 -63.94 1.06 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.947 0.721 . . . . 75.1 112.947 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -104.53 -19.1 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.969 -0.693 . . . . 75.51 111.301 -173.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 88' ' ' LYS . 35.7 t70 -84.04 -26.72 28.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.244 0.545 . . . . 74.33 110.737 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.532 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 33.6 t70 -124.75 11.03 8.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.774 0.797 . . . . 73.13 109.884 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p 49.06 68.57 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.935 -1.03 . . . . 72.31 112.718 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.488 ' HB3' HG23 ' A' ' 50' ' ' ILE . 19.8 m -109.0 9.8 26.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.336 -0.847 . . . . 75.5 109.147 174.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -52.35 -25.62 10.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.457 -1.247 . . . . 74.12 112.528 -178.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.83 41.29 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.341 . . . . 65.11 111.316 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -49.94 70.09 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.0 110.618 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.5 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 85.7 m-85 -73.58 -23.44 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.281 0.562 . . . . 74.42 110.375 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' O ' HG21 ' A' ' 67' ' ' VAL . 20.4 t70 -63.56 -49.57 72.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.251 -0.886 . . . . 74.32 110.438 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.7 ptmt -78.57 -15.76 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 73.12 111.028 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 63' ' ' PHE . 4.3 m-30 -62.87 -29.46 70.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.182 -0.207 . . . . 74.51 111.502 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 64' ' ' ASP . 17.3 m -61.79 -24.36 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.087 0.47 . . . . 64.42 110.284 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.46 -57.94 2.94 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.956 -0.566 . . . . 65.12 110.307 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -47.57 -41.62 21.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.993 -1.003 . . . . 65.04 110.355 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -54.64 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.383 -0.826 . . . . 63.54 111.661 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.588 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 16.9 pttm -74.29 -21.59 59.67 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 119.12 -1.032 . . . . 75.13 111.826 -166.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -57.31 -52.05 66.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.005 0.431 . . . . 62.24 110.42 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 73' ' ' ARG . 7.6 ppt_? -86.14 -5.19 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.511 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 71' ' ' LYS . 54.2 m -83.07 -35.69 25.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.535 -0.302 . . . . 70.03 111.09 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 69.54 -80.91 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.026 0.75 . . . . 74.14 113.026 170.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.52 10.65 37.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 74.35 110.844 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 85.3 mt 66.65 28.36 9.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.483 0.659 . . . . 71.11 110.308 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -83.77 12.03 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.305 -0.861 . . . . 72.22 110.24 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' HB2' HG21 ' A' ' 74' ' ' THR . 32.5 t70 -77.01 140.95 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 74.41 110.909 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.09 134.08 10.27 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.833 -0.803 . . . . 71.24 108.833 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.579 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 7.0 ptt180 -164.54 166.02 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.262 -0.426 . . . . 75.22 110.79 -174.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t80 -111.28 127.89 55.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.355 -0.98 . . . . 74.55 108.355 173.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 107' ' ' LEU . . . -126.83 143.37 51.28 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.773 -0.371 . . . . 73.21 110.926 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.25 122.53 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.971 0.415 . . . . 74.52 110.46 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.665 ' O ' HG12 ' A' ' 105' ' ' ILE . 36.8 m-85 -136.3 121.48 19.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.799 -0.637 . . . . 74.35 109.708 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.693 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 t70 -86.39 99.1 11.38 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.192 -1.41 . . . . 65.33 107.192 168.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 145.15 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.069 -0.514 . . . . 74.41 109.864 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.869 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 7.2 pttt -124.14 153.75 41.06 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.403 0.62 . . . . 74.02 111.069 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.706 ' CD2' ' HG ' ' A' ' 155' ' ' LEU . 14.9 p90 -146.74 -175.82 4.95 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.513 -1.221 . . . . 73.1 108.739 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 p -128.41 130.5 47.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.087 0.47 . . . . 74.05 111.308 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.728 ' HB2' ' HE3' ' A' ' 101' ' ' MET . 48.9 t -97.08 123.44 40.83 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.802 -0.814 . . . . 74.13 108.802 173.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 p -80.7 113.48 18.93 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.305 -0.407 . . . . 75.12 110.041 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.879 ' HB2' ' HB1' ' A' ' 96' ' ' ALA . 23.0 mtt180 -65.08 137.23 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.308 -0.627 . . . . 75.41 109.308 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.1 112.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 110.082 -0.34 . . . . 75.03 110.082 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.27 79.02 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.921 -0.581 . . . . 65.13 113.163 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.879 ' HB1' ' HB2' ' A' ' 93' ' ' ARG . . . -146.66 -163.24 1.71 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.177 0.489 . . . . 74.31 111.064 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.59 -154.82 18.81 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.09 -0.576 . . . . 74.34 113.37 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -107.39 140.86 39.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.403 . . . . 73.44 111.23 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.9 m -117.42 117.12 28.61 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.527 -0.545 . . . . 75.24 109.527 173.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -76.21 148.45 37.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.45 -0.5 . . . . 73.23 109.681 177.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.728 ' HE3' ' HB2' ' A' ' 91' ' ' CYS . 12.5 ptt? -147.24 128.64 14.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.331 0.586 . . . . 73.3 109.455 172.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.869 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 2.2 p-10 -123.87 143.81 50.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.764 -1.107 . . . . 73.45 110.596 -171.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -165.34 135.08 3.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.888 0.375 . . . . 74.43 110.744 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.693 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.9 tt -59.67 121.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.258 -0.883 . . . . 71.13 110.874 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 85' ' ' PHE . 32.1 pt -106.31 137.55 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 74.34 110.339 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.58 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 70.5 m-85 -101.51 109.54 21.38 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.52 -0.764 . . . . 74.44 109.935 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.637 ' HB3' ' HB2' ' A' ' 83' ' ' ALA . 31.9 tp -92.73 104.32 16.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 75.12 110.62 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.803 ' HB3' ' HG2' ' A' ' 142' ' ' GLN . 25.9 tp60 -100.82 100.64 11.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.556 -0.747 . . . . 73.15 109.387 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.491 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.2 mt -89.04 104.64 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 72.4 110.388 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.5 m -125.4 83.3 61.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 75.34 111.158 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.657 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 4.8 Cg_endo -51.57 125.19 16.09 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.224 2.616 . . . . 71.52 111.693 174.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.73 -51.6 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.32 109.917 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.28 65.63 3.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.447 -0.661 . . . . 42.11 111.447 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.657 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -137.17 177.74 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.243 -0.281 . . . . 74.52 110.243 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -68.38 95.21 0.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 50.3 110.847 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.417 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 73.3 mt -56.28 -36.01 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.699 -0.682 . . . . 72.34 112.315 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -58.1 -55.41 35.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.605 -0.271 . . . . 73.44 111.69 -176.275 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 118' ' ' LYS . 19.2 ptmt -83.91 -23.04 31.37 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.787 -0.365 . . . . 75.03 110.859 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 37.4 ttpt -67.35 -35.75 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 73.32 109.7 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.588 ' HE3' ' HB2' ' A' ' 2' ' ' SER . 0.3 OUTLIER -66.04 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.669 -0.696 . . . . 75.0 109.639 178.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.18 -41.92 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 74.21 110.075 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 22.6 m-85 -67.39 -33.91 76.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.21 111.167 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.09 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.228 0.537 . . . . 54.24 110.298 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.4 m -74.24 -16.61 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 75.4 110.676 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.477 ' OG ' HD12 ' A' ' 32' ' ' ILE . 18.5 m -68.8 -29.63 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.938 -0.393 . . . . 74.04 109.938 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.429 ' HB2' ' OE1' ' A' ' 108' ' ' GLN . . . -61.83 -42.85 99.55 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.979 -0.555 . . . . 64.32 110.058 174.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.59 94.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.658 -0.701 . . . . 70.14 110.535 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.18 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 73.21 111.038 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -35.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 74.41 111.157 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -70.11 -38.64 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 64.04 110.368 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.3 m -73.73 -38.27 64.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.883 0.373 . . . . 73.54 111.348 -176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.5 p -69.07 -52.23 30.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.312 -0.404 . . . . 71.04 111.699 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.48 -27.54 24.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.629 -0.428 . . . . 73.31 111.685 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.7 47.55 52.29 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 121.113 -0.565 . . . . 73.43 112.515 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -67.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.937 0.347 . . . . 63.44 111.937 -173.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.49 -30.43 8.3 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.85 -0.69 . . . . 72.24 112.606 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -122.75 104.32 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.447 0.641 . . . . 75.45 109.855 175.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.85 166.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.672 -0.695 . . . . 74.23 112.017 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.667 HD11 ' HE3' ' A' ' 161' ' ' LYS . 2.9 mm? -120.79 99.54 6.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.174 -0.676 . . . . 74.32 109.174 168.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -109.9 113.44 26.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.581 -0.736 . . . . 75.14 109.72 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 107' ' ' LEU . 8.5 p90 -113.74 123.97 51.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.168 0.508 . . . . 75.13 109.921 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.803 ' HG2' ' HB3' ' A' ' 108' ' ' GLN . 76.0 mt-30 -99.28 107.61 19.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 74.14 110.287 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 149' ' ' MET . 34.8 m -114.78 162.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 75.12 110.391 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.639 ' HB2' ' HA ' ' A' ' 111' ' ' PRO . 6.1 p -134.77 6.52 3.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.1 -0.5 . . . . 73.33 110.757 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -132.71 154.94 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.836 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.525 ' HA ' ' HE3' ' A' ' 149' ' ' MET . 10.4 pt-20 -70.24 -31.73 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 74.21 111.831 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -76.32 -25.71 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.061 0.458 . . . . 74.13 109.967 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.35 -21.75 49.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 74.51 111.356 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.525 ' HE3' ' HA ' ' A' ' 146' ' ' GLU . 27.1 ptt? -102.81 13.31 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.161 0.505 . . . . 64.55 110.391 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.2 m -75.31 156.37 35.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 74.01 110.811 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 9.3 p80 -55.82 -37.13 68.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.54 0.57 . . . . 73.22 112.54 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -60.76 -39.76 89.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 73.25 110.513 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.546 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 72.7 mm-40 -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.828 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.95 -43.08 91.2 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.373 -0.603 . . . . 73.23 109.373 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.706 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 7.6 tt -64.35 -47.13 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.119 -0.946 . . . . 73.33 109.683 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.72 -53.64 56.13 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.94 -0.573 . . . . 75.12 110.988 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.546 ' HD3' ' O ' ' A' ' 153' ' ' GLU . 10.0 mptt -54.8 -48.72 72.39 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.474 0.654 . . . . 73.23 111.462 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' A' ' 139' ' ' LEU . 5.3 tt -71.21 -36.57 71.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.254 -0.885 . . . . 75.43 110.722 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -79.79 -39.28 17.69 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.155 -0.545 . . . . 62.12 113.878 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -30.7 67.82 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.679 0.622 . . . . 72.33 112.679 -171.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.667 ' HE3' HD11 ' A' ' 139' ' ' LEU . 3.2 pptp? -72.7 -21.84 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 73.4 111.012 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 73.12 111.655 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.955 0.407 . . . . 75.24 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -124.89 17.49 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.176 0.512 . . . . 74.53 110.626 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.02 50.51 1.75 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 63.51 111.65 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 125' ' ' SER . 57.6 t -60.6 123.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.708 -0.479 . . . . 75.1 109.708 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 93.6 mmm -100.63 169.43 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.23 0.538 . . . . 75.34 111.516 -173.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.477 HG12 ' CG1' ' A' ' 37' ' ' VAL . 30.2 m -117.85 120.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.382 -0.826 . . . . 75.31 108.972 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 143.17 87.02 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 120.896 -0.322 . . . . 75.32 110.471 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.3 -31.81 18.21 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.7 2.933 . . . . 74.53 113.835 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.23 -30.93 68.62 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.715 0.265 . . . . 65.24 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.73 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 73.14 110.352 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 52.9 mt-30 -64.17 -31.83 73.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 74.52 111.353 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -62.43 -43.37 98.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.898 0.38 . . . . 73.34 110.707 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 m -66.16 -36.84 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 63.14 110.192 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CD2' HD13 ' A' ' 133' ' ' LEU . 31.3 m-85 -63.62 -31.07 72.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.034 -0.53 . . . . 75.51 111.367 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 32.0 mm-40 -68.53 -55.19 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 72.23 110.64 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 18.6 ptmt -68.68 -21.49 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.575 -0.284 . . . . 72.03 111.628 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 23' ' ' LYS . 11.8 tp -65.66 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.428 -0.582 . . . . 75.44 109.428 169.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -68.37 -30.67 69.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.91 0.707 . . . . 71.32 112.91 -171.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 11.4 pt-20 -67.05 -34.1 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.944 0.72 . . . . 73.34 112.944 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.71 -8.72 0.21 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 119.222 -1.466 . . . . 73.1 114.621 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 3.6 mmp_? -109.37 -57.35 2.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.031 0.916 . . . . 73.33 111.619 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HZ2' ' CG ' ' A' ' 102' ' ' ASP . 1.6 mtpm? 69.12 -73.45 0.09 Allowed 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.032 0.833 . . . . 74.22 111.268 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' A' ' 88' ' ' LYS . 18.9 mp0 -98.38 21.25 11.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.79 0.329 . . . . 74.12 110.427 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.677 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 96.1 m-85 -134.69 138.68 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.122 -0.231 . . . . 75.22 110.883 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 17.3 mtp180 67.23 117.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.236 0.96 . . . . 74.21 110.675 -174.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 20.3 p90 -106.02 150.2 25.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.583 -178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.503 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.6 tp -108.74 123.19 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.368 0.604 . . . . 75.13 110.792 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.0 mm -115.02 133.88 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.292 -0.867 . . . . 73.14 109.175 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' HD2' HG22 ' A' ' 37' ' ' VAL . 2.0 p90 -143.19 151.35 40.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.44 . . . . 54.12 111.641 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' O ' HD11 ' A' ' 38' ' ' ILE . 1.3 mptm? -127.71 162.18 27.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 61.21 110.709 -177.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.489 HD12 ' HB ' ' A' ' 37' ' ' VAL . 32.8 mm -85.99 127.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 71.34 110.427 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.9 t70 -145.37 147.6 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.408 -0.59 . . . . 74.02 109.408 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 64.4 -81.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.448 0.467 . . . . 74.3 110.908 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -160.17 9.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.691 -0.686 . . . . 75.1 109.785 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -141.28 -178.17 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 74.01 109.662 -178.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG22 ' HD2' ' A' ' 30' ' ' PHE . 8.4 p -106.32 132.99 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.856 0.36 . . . . 71.32 110.925 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.577 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -119.24 164.79 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.326 -0.397 . . . . 71.42 110.429 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.6 134.54 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 75.41 111.39 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -102.76 -58.51 1.86 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 71.21 109.918 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.74 35.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 73.24 111.125 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -145.59 78.3 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.433 -0.803 . . . . 64.32 109.053 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.6 151.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.854 -0.612 . . . . 72.33 110.486 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.607 HG23 ' HG2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -89.72 149.26 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.044 0.449 . . . . 71.11 110.999 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.767 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.9 pt20 -78.38 -18.8 54.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 72.45 110.969 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -69.15 -31.91 70.89 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.718 0.294 . . . . 73.11 110.906 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.607 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.4 pt20 -91.31 -18.32 24.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.304 0.573 . . . . 75.15 109.964 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.767 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 15.9 tp -65.64 -24.04 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.409 -0.814 . . . . 74.54 111.036 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.51 -3.17 6.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.818 -0.706 . . . . 74.11 111.99 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.511 HG21 ' H ' ' A' ' 51' ' ' THR . 8.4 mm -98.94 169.37 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.899 -0.778 . . . . 70.4 108.899 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.511 ' H ' HG21 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.29 -55.58 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.434 0.531 . . . . 75.42 112.434 -177.093 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.34 -66.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.414 -1.374 . . . . 73.23 114.379 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -77.52 134.97 38.18 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.895 0.379 . . . . 72.03 111.719 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 17.6 t70 -56.14 -60.76 3.03 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.765 -0.652 . . . . 72.43 112.75 -174.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.726 ' HB2' ' HA ' ' A' ' 89' ' ' PHE . 25.0 t80 -101.86 -36.61 8.59 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.208 -0.597 . . . . 70.34 111.342 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.09 -27.42 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.224 0.535 . . . . 73.21 110.21 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.1 5.63 7.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 71.03 110.581 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m 53.04 33.03 13.97 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.912 -0.585 . . . . 75.31 111.682 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.506 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 70.5 m -68.22 -10.22 52.88 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.429 0.529 . . . . 72.23 112.429 -174.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.581 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -59.0 -22.68 61.03 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.44 -0.578 . . . . 75.33 109.44 172.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HA ' ' CD2' ' A' ' 151' ' ' HIS . . . -48.22 -22.05 0.6 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.687 -0.688 . . . . 70.31 111.877 173.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -51.71 -32.36 29.92 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.694 0.283 . . . . 70.31 111.181 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 67' ' ' VAL . 63.7 m-85 -67.96 -23.21 65.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.619 0.247 . . . . 74.31 111.392 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.49 -42.95 97.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.055 0.455 . . . . 64.41 110.499 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptmt -84.92 -16.32 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.556 . . . . 73.55 110.873 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' HZ ' HD23 ' A' ' 48' ' ' LEU . 9.5 m-85 -80.39 -21.22 42.51 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.107 -0.237 . . . . 72.34 111.19 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 63' ' ' PHE . 89.7 t -58.73 -37.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.418 -0.586 . . . . 74.4 109.418 170.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -66.77 -36.72 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.384 -0.826 . . . . 73.34 110.37 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.88 -51.92 67.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.1 0.476 . . . . 74.54 110.079 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 66' ' ' PHE . 60.0 t -56.21 -59.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.188 -0.915 . . . . 63.42 111.307 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -24.83 67.52 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 74.32 112.318 -173.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.3 m -76.41 -41.68 46.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.003 -0.279 . . . . 64.42 110.999 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -86.55 -8.45 57.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.352 . . . . 74.5 111.721 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 p -98.13 -68.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.665 -0.414 . . . . 73.34 111.837 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.11 -69.88 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.952 0.782 . . . . 74.34 109.348 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -113.42 98.42 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.65 -1.241 . . . . 75.32 107.65 167.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 77' ' ' LEU . 1.9 pt? -49.28 100.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.781 0.8 . . . . 71.54 112.874 -169.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.8 m -120.22 -5.42 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.127 -0.942 . . . . 74.31 109.052 174.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.28 142.2 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.921 -1.036 . . . . 73.21 110.096 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.616 ' SG ' ' HE2' ' A' ' 118' ' ' LYS . 9.8 p -155.42 144.5 20.81 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.302 -0.629 . . . . 72.52 109.302 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -147.75 166.87 26.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.673 -0.239 . . . . 74.14 110.959 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.3 t80 -115.91 130.56 56.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 75.54 109.306 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.47 51.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.46 -0.336 . . . . 74.13 110.84 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.453 HG12 ' HE1' ' A' ' 15' ' ' PHE . 92.5 t -133.52 134.52 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.529 -0.305 . . . . 72.14 110.714 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -139.35 140.85 37.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.03 110.097 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.618 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 7.4 t70 -100.94 99.62 10.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.133 -1.062 . . . . 72.15 108.133 169.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.57 132.68 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.696 -0.683 . . . . 71.41 111.835 -175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 31.7 ttmt -104.86 108.75 20.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 73.33 109.802 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.726 ' HA ' ' HB2' ' A' ' 55' ' ' TYR . 7.3 p90 -119.74 -172.6 2.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.666 -0.494 . . . . 74.55 109.666 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.915 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 23.3 p -106.87 134.01 50.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 64.21 110.652 175.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.24 112.76 24.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.384 -0.598 . . . . 74.52 109.384 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.653 ' HA ' HG23 ' A' ' 98' ' ' THR . 14.8 m -70.45 108.1 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.697 -0.683 . . . . 74.44 110.822 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -99.08 120.82 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 75.5 110.359 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.07 121.27 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 74.44 110.984 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.87 -2.46 76.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.015 -0.612 . . . . 64.24 111.974 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.87 -159.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.595 0.236 . . . . 72.44 110.404 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.13 166.8 12.73 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.927 -0.654 . . . . 75.12 111.659 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.915 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.4 p -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.757 0.313 . . . . 72.14 110.883 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -100.13 135.6 41.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.358 -0.383 . . . . 71.12 110.224 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.6 mtmt -71.25 130.97 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.414 0.626 . . . . 73.31 111.234 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.5 ttt -143.6 131.82 21.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.972 -1.013 . . . . 74.34 109.668 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.3 p30 -104.51 146.43 28.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.014 -0.539 . . . . 73.21 110.962 -177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.842 ' HA ' ' HZ3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -167.19 155.11 9.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.809 0.814 . . . . 75.43 112.51 166.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.683 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 3.7 tt -85.88 138.04 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.372 -1.286 . . . . 74.04 112.305 -171.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 139' ' ' LEU . 38.2 pt -125.44 153.09 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 71.32 110.712 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' HB2' ' HG2' ' A' ' 140' ' ' GLN . 60.2 m-85 -103.46 110.65 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.138 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.7 102.52 15.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 74.53 109.872 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.685 HE22 ' HB1' ' A' ' 126' ' ' ALA . 34.5 tt0 -113.62 116.02 28.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 73.22 110.961 173.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.712 HG23 HG21 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -99.23 103.05 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.472 0.654 . . . . 75.31 110.031 171.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.4 p -122.7 96.78 45.08 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.526 -0.761 . . . . 64.54 110.297 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.901 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 35.5 Cg_exo -60.66 142.21 97.21 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.925 2.416 . . . . 65.1 112.379 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.43 -56.99 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 74.32 110.12 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.0 62.17 4.23 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.906 -0.588 . . . . 71.12 111.889 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.901 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -119.81 175.69 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.888 0.375 . . . . 74.2 110.89 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 m -65.51 103.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 74.04 110.583 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.89 -34.2 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.675 0.609 . . . . 74.23 111.815 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.5 mttm -52.36 -60.63 2.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.625 -0.261 . . . . 75.42 111.462 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.616 ' HE2' ' SG ' ' A' ' 80' ' ' CYS . 20.2 ptmt -83.5 -27.06 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 74.54 110.876 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.49 -37.46 86.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.807 -0.633 . . . . 74.31 110.97 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -35.17 61.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 73.32 110.241 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 117' ' ' LYS . 64.7 t -64.11 -38.16 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.886 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.42 ' HA ' ' OG ' ' A' ' 125' ' ' SER . 14.2 m-85 -66.4 -36.56 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.668 0.271 . . . . 75.44 110.824 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.85 68.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 63.22 110.342 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -80.34 -43.13 21.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.749 -0.66 . . . . 73.25 110.948 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.475 ' HB3' HG13 ' A' ' 5' ' ' VAL . 4.4 p -70.64 -19.39 62.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 73.45 111.36 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.685 ' HB1' HE22 ' A' ' 108' ' ' GLN . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.171 0.51 . . . . 73.21 110.351 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.44 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 63.41 110.678 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.66 59.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.125 -0.488 . . . . 75.41 111.179 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.5 tp -61.94 -35.54 68.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.336 -0.393 . . . . 72.41 110.826 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -79.04 -25.74 43.2 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.009 -0.277 . . . . 74.31 111.095 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.3 m -79.7 -30.07 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.54 . . . . 73.14 110.145 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.6 m -72.33 -30.72 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 64.25 111.006 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 15' ' ' PHE . 10.2 mp -100.64 -25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.071 0.397 . . . . 75.21 112.071 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.69 -106.01 0.87 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.856 -0.688 . . . . 65.32 111.505 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.577 HG21 ' H ' ' A' ' 137' ' ' LYS . 20.2 m 62.2 -73.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.264 0.626 . . . . 75.13 112.569 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.39 -30.15 9.66 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.652 -0.579 . . . . 75.45 111.652 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.577 ' H ' HG21 ' A' ' 135' ' ' THR . 15.2 tppt? -87.51 71.28 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.583 -0.525 . . . . 73.43 109.583 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.526 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 pp -145.49 153.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.762 -0.653 . . . . 75.43 110.687 -177.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.779 ' HB2' HG21 ' A' ' 105' ' ' ILE . 3.2 mm? -121.85 104.37 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.106 0.479 . . . . 74.52 110.413 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -97.85 106.5 18.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.126 -0.694 . . . . 72.25 109.126 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 105' ' ' ILE . 33.9 p90 -102.41 128.72 48.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.054 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -99.56 103.18 14.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.245 0.545 . . . . 74.23 110.702 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.712 HG21 HG23 ' A' ' 109' ' ' ILE . 30.7 m -117.47 171.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.417 -0.81 . . . . 74.52 109.943 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 111' ' ' PRO . 4.8 p -132.68 -41.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.477 0.547 . . . . 74.13 112.477 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -93.84 159.02 15.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 71.41 111.327 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.483 ' HB2' HG12 ' A' ' 67' ' ' VAL . 4.9 pt-20 -56.34 -34.34 66.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.595 -0.73 . . . . 75.4 111.637 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.1 m -68.95 -22.26 64.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.845 0.355 . . . . 64.31 110.905 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.6 ' CB ' ' HB ' ' A' ' 143' ' ' VAL . 52.7 mt-10 -87.37 -16.59 34.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.057 0.456 . . . . 73.4 111.139 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -105.51 13.06 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.468 0.652 . . . . 75.31 109.826 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.6 m -77.25 161.22 28.3 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.136 -0.938 . . . . 75.14 110.695 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.511 ' HB2' ' CG ' ' A' ' 60' ' ' LYS . 3.3 p80 -63.44 -24.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.477 0.918 . . . . 72.32 113.477 -171.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -60.27 -60.11 4.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.468 0.544 . . . . 74.12 112.468 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' A' ' 148' ' ' GLU . 10.5 pt-20 -77.85 -18.03 56.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.213 -0.595 . . . . 75.54 112.512 -170.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.4 -38.52 71.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.464 -0.569 . . . . 73.02 109.464 172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.617 HD13 ' HE2' ' A' ' 55' ' ' TYR . 6.3 tt -68.15 -49.93 57.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.4 -0.818 . . . . 73.43 109.47 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.666 ' O ' ' HG3' ' A' ' 160' ' ' GLU . 48.5 t30 -58.41 -58.13 9.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 75.34 111.338 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -20.81 65.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.436 0.532 . . . . 70.52 112.436 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.4 HD13 ' CG2' ' A' ' 105' ' ' ILE . 27.3 tp -82.69 -29.65 29.75 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.603 -0.439 . . . . 74.14 110.086 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.33 -35.24 5.31 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.6 -0.81 . . . . 55.03 115.029 -171.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.712 ' OE2' ' HG3' ' A' ' 161' ' ' LYS . 0.0 OUTLIER -50.25 -62.39 1.61 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.505 1.298 . . . . 52.14 114.505 -165.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.712 ' HG3' ' OE2' ' A' ' 160' ' ' GLU . 0.2 OUTLIER -64.28 -25.0 67.86 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.223 0.823 . . . . 65.1 113.223 -172.366 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.501 ' N ' ' HD2' ' A' ' 161' ' ' LYS . 11.0 m-85 . . . . . 0 C--N 1.327 -0.407 0 C-N-CA 120.571 -0.452 . . . . 70.0 111.156 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.5 ' HA ' ' HE3' ' A' ' 120' ' ' MET . 3.8 m . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.601 0.715 . . . . 70.11 109.785 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -93.6 10.88 30.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.101 -0.954 . . . . 63.52 110.706 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.17 158.28 16.72 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.046 -0.597 . . . . 73.32 112.03 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.42 147.05 23.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.65 -0.5 . . . . 71.34 109.65 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.1 mmm -99.76 164.56 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.959 -0.386 . . . . 73.31 109.959 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.401 HG23 HG11 ' A' ' 37' ' ' VAL . 6.2 p -129.32 132.2 66.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.668 0.27 . . . . 71.13 110.946 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.28 127.22 89.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 73.24 109.877 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.78 -29.01 79.16 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.152 2.568 . . . . 74.23 113.872 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -74.34 -3.76 32.26 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.798 0.295 . . . . 75.23 111.798 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.625 HG11 ' HE1' ' A' ' 30' ' ' PHE . 19.3 t -59.01 -46.07 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.999 0.428 . . . . 71.53 109.944 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.2 -38.57 88.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 72.45 110.369 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 m -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 75.02 110.622 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 m -76.49 -30.26 57.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 64.4 111.392 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 133' ' ' LEU . 84.7 t80 -64.9 -44.4 89.74 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.878 0.371 . . . . 74.43 110.919 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.46 -27.97 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.54 111.382 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 33.9 ttmt -56.52 -41.16 76.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.599 -0.728 . . . . 63.02 111.65 -174.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' A' ' 27' ' ' TYR . 2.1 pt? -100.1 -28.16 13.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.295 -0.562 . . . . 75.12 110.598 175.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -59.14 -45.07 91.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.203 -0.453 . . . . 74.52 112.141 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.26 1.72 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.309 -0.556 . . . . 74.13 110.782 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.17 -135.03 7.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.74 -0.743 . . . . 62.41 112.111 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 62.5 mmt-85 -74.06 -6.68 49.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.519 0.192 . . . . 75.51 111.519 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.1 mppt? 69.61 -54.86 0.59 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.708 0.63 . . . . 74.1 110.801 -172.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 53' ' ' ASP . 43.2 mt-10 -80.13 14.91 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.497 0.665 . . . . 74.42 110.0 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' C ' ' HB ' ' A' ' 44' ' ' THR . 11.8 t80 -71.29 -179.4 2.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.344 -0.844 . . . . 73.3 108.772 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.777 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 29.6 ptt180 -57.91 121.09 9.7 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.255 -0.578 . . . . 75.12 111.106 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.531 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -98.9 179.21 4.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.725 -0.67 . . . . 73.51 111.379 -173.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.429 ' CD1' HG21 ' A' ' 39' ' ' VAL . 5.7 tp -107.21 130.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.222 -0.899 . . . . 71.53 112.195 -166.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.665 ' HB ' ' HB1' ' A' ' 41' ' ' ALA . 37.7 mm -112.02 130.12 66.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.448 -0.796 . . . . 74.22 109.573 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.757 ' HE2' HG23 ' A' ' 84' ' ' VAL . 92.2 m-85 -106.8 137.93 43.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 74.54 111.65 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -129.37 158.19 39.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 70.04 109.817 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 37' ' ' VAL . 33.3 mm -102.97 125.09 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.81 0.338 . . . . 72.42 110.704 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.493 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 20.5 t70 -122.87 127.0 48.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 73.24 109.621 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 66.06 -75.83 0.05 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.851 0.72 . . . . 65.31 111.005 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -163.8 19.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 73.31 110.845 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.612 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -139.8 156.22 46.86 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.916 -0.314 . . . . 75.25 110.319 178.153 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' A' ' 32' ' ' ILE . 7.1 p -87.75 133.82 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.903 0.382 . . . . 72.21 110.749 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.612 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.1 pt -122.84 156.25 28.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.102 0.477 . . . . 75.22 111.884 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 HG21 ' CD1' ' A' ' 28' ' ' ILE . 1.5 p -84.24 109.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.397 -0.82 . . . . 71.33 109.841 172.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.87 -38.54 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.198 -0.456 . . . . 74.31 111.221 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -134.57 127.99 32.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.129 0.49 . . . . 72.54 111.802 -174.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.43 95.53 4.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.194 -0.912 . . . . 63.44 108.911 171.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.75 135.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.042 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.777 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 6.3 t -98.98 160.23 14.41 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.146 -0.687 . . . . 54.33 109.146 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HB2' HG13 ' A' ' 50' ' ' ILE . 27.0 pt20 -67.43 -26.75 66.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.225 0.536 . . . . 75.31 109.975 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.98 -52.04 64.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.464 -0.789 . . . . 73.43 111.35 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.445 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -75.09 -17.8 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 75.42 111.998 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.6 pp -91.5 -14.02 31.15 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.629 -0.428 . . . . 75.23 111.481 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.63 38.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.128 -1.034 . . . . 75.33 113.576 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.552 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.7 mm -122.1 159.58 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.164 -0.68 . . . . 74.51 109.164 177.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 50' ' ' ILE . 3.3 m -65.99 -73.15 0.14 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.223 0.453 . . . . 75.44 112.223 -173.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.02 -108.33 0.21 Allowed Glycine 0 CA--C 1.522 0.494 0 C-N-CA 119.403 -1.38 . . . . 74.44 114.474 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' OE2' ' A' ' 24' ' ' GLU . 3.2 m-20 -59.99 138.22 57.9 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.115 0.566 . . . . 74.02 112.413 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -49.35 -62.62 1.44 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 72.22 112.935 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.868 ' HD1' ' HE2' ' A' ' 60' ' ' LYS . 37.2 t80 -120.64 -23.4 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.857 -0.337 . . . . 75.02 110.56 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.93 -28.55 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.288 0.566 . . . . 65.02 110.086 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 58' ' ' SER . 17.7 t70 -118.72 -21.59 7.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.469 -0.787 . . . . 62.21 109.923 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 75.6 m 76.32 94.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.949 0.9 . . . . 42.13 111.123 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.466 ' HB2' HG21 ' A' ' 50' ' ' ILE . 36.9 p -134.88 -19.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.524 -0.762 . . . . 64.15 112.144 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.868 ' HE2' ' HD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -51.79 -21.42 2.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.397 0.279 . . . . 73.23 111.533 -179.022 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HA ' ' NE2' ' A' ' 151' ' ' HIS . . . -42.79 -26.87 0.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.955 0.502 . . . . 73.45 112.15 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.45 -33.52 63.69 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.62 0.368 . . . . 73.33 111.685 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.429 ' O ' HG12 ' A' ' 67' ' ' VAL . 66.1 m-85 -64.44 -25.51 68.04 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.303 -0.248 . . . . 74.11 111.334 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.77 -37.04 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 73.52 111.182 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 18.4 ptmt -87.63 -30.56 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.479 -0.328 . . . . 74.21 110.919 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.18 -36.28 69.21 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.101 0.408 . . . . 73.2 112.101 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 31.2 m -60.08 -37.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.951 0.405 . . . . 74.02 110.58 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 1.9 mt-10 -79.0 -35.28 43.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 74.24 110.174 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.559 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 8.0 t70 -53.33 -52.75 58.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 73.25 109.634 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.86 -44.97 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.335 -0.848 . . . . 61.22 112.075 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.52 -20.74 60.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.523 -0.471 . . . . 74.24 112.022 -173.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 m -73.75 -44.3 56.61 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.961 -0.295 . . . . 74.34 111.102 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -84.16 -6.74 59.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.395 0.517 . . . . 74.31 112.395 -176.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.708 ' HB ' ' HA ' ' A' ' 78' ' ' THR . 6.4 p -88.41 -12.49 43.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.362 . . . . 74.25 110.403 174.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t70 64.84 -81.2 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.063 -0.971 . . . . 75.41 112.242 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -154.1 -34.13 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 73.14 110.229 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.66 -29.09 69.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.28 -0.418 . . . . 74.23 110.512 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.708 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 19.5 m 61.27 94.62 0.04 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 124.036 0.835 . . . . 72.34 112.556 173.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -80.1 146.56 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 73.23 108.911 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.696 ' SG ' ' HG3' ' A' ' 119' ' ' LYS . 29.5 m -91.1 151.62 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.87 0.367 . . . . 75.22 110.667 -174.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.83 ' HB2' HD13 ' A' ' 109' ' ' ILE . 2.4 mmp_? -126.23 145.94 50.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.12 -0.326 . . . . 74.42 110.12 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.643 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -128.95 144.63 51.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.406 -0.961 . . . . 64.43 108.406 172.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.62 163.06 21.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.658 0.266 . . . . 71.52 110.787 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.757 HG23 ' HE2' ' A' ' 30' ' ' PHE . 39.8 t -129.56 123.83 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 71.42 109.777 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -130.12 146.48 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.995 -0.372 . . . . 71.2 109.995 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.769 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 12.4 t70 -101.1 103.98 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.294 -0.632 . . . . 74.33 109.294 170.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.32 113.76 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 75.11 111.053 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -91.22 108.55 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 74.12 109.566 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.773 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 10.5 p90 -128.0 177.1 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.257 -0.428 . . . . 72.34 110.254 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 1.055 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 41.5 p -115.34 123.28 48.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.991 0.424 . . . . 74.24 110.077 177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 30.8 t -97.12 139.3 33.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.327 -0.397 . . . . 54.33 110.264 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 m -72.58 101.48 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 71.2 110.793 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -81.31 118.74 22.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.298 -0.63 . . . . 75.24 109.298 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 113.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 74.4 111.138 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.01 -7.11 62.43 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.851 -0.613 . . . . 74.42 112.04 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.78 -161.18 1.11 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.827 0.346 . . . . 73.34 110.438 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.78 -164.02 30.21 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.847 -0.692 . . . . 74.23 112.678 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 1.055 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.8 p -75.34 118.11 17.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.21 0.529 . . . . 71.43 111.065 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -85.99 123.77 31.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.199 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.58 ' HD3' HG23 ' A' ' 90' ' ' THR . 1.7 mppt? -72.93 110.19 7.05 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.167 0.508 . . . . 73.15 110.131 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.3 mtt -117.63 107.44 14.23 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.412 -0.813 . . . . 71.41 110.786 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -95.54 128.33 42.31 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.455 -0.793 . . . . 72.42 108.878 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 1.014 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -157.66 110.69 2.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.404 -0.518 . . . . 74.15 111.429 -176.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.769 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 18.8 tt -71.47 125.22 29.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 63.52 110.143 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.599 HG23 HD11 ' A' ' 158' ' ' LEU . 20.7 pt -130.8 157.58 43.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.183 0.516 . . . . 74.25 111.931 -175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.639 ' CE1' HG22 ' A' ' 138' ' ' ILE . 13.7 m-85 -95.97 128.87 43.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.068 -0.969 . . . . 73.5 111.369 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 109' ' ' ILE . 6.5 tt -103.61 114.76 29.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.307 -0.861 . . . . 73.34 110.653 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.689 HE21 ' HB2' ' A' ' 110' ' ' CYS . 39.9 tp60 -110.55 108.08 17.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.549 . . . . 73.13 110.253 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.83 HD13 ' HB2' ' A' ' 81' ' ' ARG . 53.5 mt -87.38 105.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 72.12 109.669 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.689 ' HB2' HE21 ' A' ' 108' ' ' GLN . 22.3 t -125.49 90.04 51.4 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.937 -0.574 . . . . 74.51 109.919 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.42 175.29 4.3 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.06 2.507 . . . . 73.43 112.488 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.63 -55.84 2.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.639 -0.504 . . . . 62.25 109.639 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.08 61.07 4.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.306 -0.718 . . . . 74.32 111.306 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.81 178.85 6.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.543 -0.328 . . . . 75.55 110.354 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 26.4 m -68.82 88.61 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.019 -0.537 . . . . 74.24 110.363 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 84.8 mt -58.04 -32.35 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 73.13 112.333 -174.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.38 -50.47 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.629 0.233 . . . . 71.34 111.629 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.516 ' HE2' ' HE2' ' A' ' 122' ' ' TYR . 18.9 ptmt -86.02 -21.35 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.214 -0.595 . . . . 61.43 110.275 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.696 ' HG3' ' SG ' ' A' ' 80' ' ' CYS . 19.4 ttpp -63.85 -36.25 83.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.448 -0.575 . . . . 73.12 109.448 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.5 ' HE3' ' HA ' ' A' ' 2' ' ' SER . 1.5 tmt? -64.22 -37.27 86.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.2 -0.909 . . . . 72.31 109.688 176.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.74 -48.23 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 73.32 110.131 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.516 ' HE2' ' HE2' ' A' ' 118' ' ' LYS . 65.9 m-85 -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.243 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.07 80.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 73.43 110.83 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -75.14 -33.36 61.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.905 -0.589 . . . . 75.42 110.241 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.4 m -68.14 -27.83 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 64.12 110.976 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -57.99 -34.45 70.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.264 -0.426 . . . . 70.22 110.748 177.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.45 -43.64 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 74.34 110.611 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.46 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.329 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.058 -0.519 . . . . 71.43 111.005 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 126' ' ' ALA . 7.0 ptmt -73.35 -26.82 61.18 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.67 -0.412 . . . . 75.22 110.766 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 46.2 m -74.3 -30.79 62.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.064 0.459 . . . . 72.34 110.08 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.3 t -68.6 -47.54 66.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 73.22 111.098 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.502 HD22 HG12 ' A' ' 11' ' ' VAL . 48.0 mt -91.8 -28.3 17.44 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.68 -0.408 . . . . 64.35 111.171 -176.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 -80.6 0.16 Allowed Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.936 -0.575 . . . . 75.11 112.944 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.473 HG21 HG23 ' A' ' 138' ' ' ILE . 9.0 m 58.67 -77.81 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.886 0.875 . . . . 72.44 112.305 -174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.54 -30.89 8.1 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.262 -0.494 . . . . 62.53 112.259 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -102.39 70.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.234 -0.654 . . . . 74.43 109.234 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.639 HG22 ' CE1' ' A' ' 106' ' ' PHE . 7.6 pt -143.06 157.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.569 -0.741 . . . . 74.2 111.36 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.462 ' H ' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -118.73 98.41 6.21 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.15 -1.055 . . . . 74.22 108.15 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.43 105.95 18.16 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.36 -0.607 . . . . 72.3 109.36 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.482 ' HD1' HG12 ' A' ' 143' ' ' VAL . 51.8 p90 -104.13 148.34 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 74.44 111.125 -176.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -110.58 117.78 34.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 73.1 110.047 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.482 HG12 ' HD1' ' A' ' 141' ' ' PHE . 29.9 m -111.71 134.77 53.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.37 -0.377 . . . . 72.42 110.429 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.5 m -108.96 -3.26 17.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.89 0.376 . . . . 72.03 110.963 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -150.53 157.46 43.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.419 . . . . 74.51 110.532 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.545 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 6.4 pt-20 -64.28 -26.47 68.51 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 123.264 0.353 . . . . 52.42 111.179 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.2 t -67.51 -23.77 65.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.317 . . . . 70.34 110.553 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.621 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 42.8 mt-10 -83.96 -8.0 59.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 73.24 111.348 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.32 21.61 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.692 0.758 . . . . 74.33 109.815 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -81.62 170.73 15.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.014 -0.994 . . . . 54.02 110.964 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' ' 61' ' ' ALA . 62.4 m80 -41.97 -55.77 3.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.47 0.708 . . . . 74.34 112.283 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.63 -54.53 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 74.25 112.399 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.621 ' HG3' ' HA ' ' A' ' 148' ' ' GLU . 82.0 mm-40 -57.08 -43.48 82.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.047 0.758 . . . . 74.45 113.047 -168.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.52 -42.64 99.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.723 -0.391 . . . . 65.5 110.481 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.23 -36.29 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 74.1 110.013 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.2 -52.54 61.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 72.44 110.415 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -60.7 -52.31 65.66 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.613 0.721 . . . . 72.21 110.909 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' A' ' 103' ' ' LYS . 41.2 tp -71.24 -10.26 59.46 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.661 -1.154 . . . . 64.31 111.389 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.27 -48.2 2.88 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.636 -0.793 . . . . 71.23 112.867 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.67 -15.68 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.543 0.942 . . . . 64.14 113.543 -171.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.864 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -65.41 -30.33 71.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.953 0.406 . . . . 74.32 110.952 -177.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.864 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.565 174.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.313 0.578 . . . . 75.25 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -83.83 9.05 12.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.725 -0.671 . . . . 71.41 109.535 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 174.24 38.15 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.546 -0.752 . . . . 74.51 111.43 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.725 HG13 ' HB3' ' A' ' 125' ' ' SER . 98.0 t -119.34 150.21 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.981 -0.748 . . . . 75.52 108.981 174.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.607 ' HB2' ' HB2' ' A' ' 36' ' ' LYS . 47.2 mtt -98.13 156.2 16.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.242 -0.651 . . . . 74.14 109.242 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 37' ' ' VAL . 6.3 p -138.61 123.84 22.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.846 0.355 . . . . 75.41 111.118 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 128.47 93.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.514 -0.55 . . . . 71.24 109.514 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.89 -15.99 29.76 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.11 2.54 . . . . 70.53 113.628 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.88 -21.41 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.949 0.404 . . . . 74.21 110.741 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 129' ' ' ILE . 99.7 t -60.19 -44.74 96.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.813 -0.44 . . . . 74.31 109.813 174.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.0 mt-30 -67.2 -37.32 83.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 72.5 110.309 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -59.79 -35.4 74.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.243 0.544 . . . . 74.34 110.127 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.672 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . 49.5 m -69.69 -30.45 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.661 -0.699 . . . . 54.14 110.624 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.704 ' HE1' HG12 ' A' ' 84' ' ' VAL . 45.5 m-85 -73.99 -36.01 64.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.086 0.469 . . . . 72.42 110.293 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 15.5 mm100 -67.68 -41.65 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 71.3 111.428 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.672 ' CD ' ' HA ' ' A' ' 14' ' ' SER . 16.0 ptmt -67.48 -23.59 65.5 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.876 0.369 . . . . 74.42 111.271 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 5.8 tt -78.58 -39.81 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.364 -0.606 . . . . 71.44 109.364 173.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -65.23 -31.14 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.396 -0.82 . . . . 71.44 111.209 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 54.8 mt-10 -57.58 -41.74 81.74 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.36 0.6 . . . . 62.4 110.104 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.18 -115.96 0.47 Allowed Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.215 -0.902 . . . . 74.44 112.961 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.0 mmt180 -113.43 -4.52 13.59 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.183 0.438 . . . . 75.44 112.183 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 10.0 mtmp? 75.15 -55.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.936 0.772 . . . . 75.4 109.746 -164.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 4.0 mp0 -71.18 2.18 4.97 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.357 0.599 . . . . 72.12 110.483 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.6 t80 -98.69 124.74 43.71 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.605 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 47.8 mtt180 71.27 160.71 0.22 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.921 0.763 . . . . 73.01 111.979 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -138.49 144.91 40.23 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.297 -0.865 . . . . 72.11 109.176 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG21 ' HB ' ' A' ' 84' ' ' VAL . 3.7 tp -110.14 123.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.437 0.637 . . . . 73.52 111.195 -172.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 mm -115.26 132.95 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.086 -0.961 . . . . 73.02 108.949 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HA ' ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -139.83 152.19 46.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.226 0.536 . . . . 75.51 111.706 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.878 ' HE3' ' HB3' ' A' ' 81' ' ' ARG . 1.9 tptm -122.62 164.68 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.266 -0.879 . . . . 75.54 110.439 -171.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 HG13 ' A' ' 121' ' ' VAL . 28.4 mm -94.9 121.86 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.968 0.413 . . . . 64.55 110.501 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 30.4 t70 -112.47 116.81 30.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.893 -0.594 . . . . 74.12 109.407 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 64.11 -82.61 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.672 0.608 . . . . 71.24 110.614 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.41 20.19 0.84 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.75 0.309 . . . . 74.41 110.572 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.694 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -137.33 159.58 41.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.06 0.457 . . . . 70.41 111.07 177.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 ' HB ' HG23 ' A' ' 7' ' ' VAL . 30.0 t -87.37 129.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 75.1 111.134 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.694 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.5 pt -127.19 149.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.0 175.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 6.2 p -67.11 131.8 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.723 0.297 . . . . 72.3 110.409 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' H ' ' HA ' ' A' ' 30' ' ' PHE . 31.2 tt0 -99.48 -47.42 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.134 -0.321 . . . . 75.44 110.134 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.53 142.15 22.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.758 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.64 80.52 1.81 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.18 0.514 . . . . 73.43 109.921 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -129.51 161.5 38.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 65.12 110.55 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 6.4 t -105.03 158.19 16.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.893 0.377 . . . . 72.12 110.515 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -79.29 -24.2 43.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.316 -0.402 . . . . 72.21 110.488 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.79 -17.53 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.601 -0.272 . . . . 73.24 111.262 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 44' ' ' THR . 11.1 pt20 -86.93 -33.4 19.7 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.979 -0.288 . . . . 72.55 111.218 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 HD12 HG12 ' A' ' 50' ' ' ILE . 4.4 pp -81.15 -29.2 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.877 -0.329 . . . . 74.12 111.095 -174.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.57 45.81 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.216 -0.992 . . . . 71.32 113.03 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 59' ' ' SER . 48.4 mm -116.56 153.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.189 -0.671 . . . . 74.44 109.189 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -66.29 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.915 0.709 . . . . 63.43 112.915 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.71 -86.31 0.08 OUTLIER Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.48 -0.867 . . . . 63.53 112.006 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 19.3 m-20 -73.52 121.9 21.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.705 -0.85 . . . . 73.22 108.705 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' SER . 18.0 t70 -48.83 -65.32 0.59 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.342 0.867 . . . . 64.5 113.342 -166.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 1.052 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 36.7 t80 -96.07 -28.82 14.43 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.472 -0.767 . . . . 73.41 111.168 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.68 -37.03 76.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.658 -0.247 . . . . 65.01 111.376 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 57.5 m-20 -85.06 17.93 2.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.544 0.211 . . . . 74.34 110.637 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.2 p 52.78 36.39 21.19 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.679 0.792 . . . . 74.5 111.117 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 3.9 m -90.91 12.22 20.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 62.24 110.254 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.28 10.43 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.853 -0.612 . . . . 72.22 111.395 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.61 -26.93 5.94 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.187 -0.461 . . . . 71.5 111.176 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -59.45 -52.68 64.57 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.52 -0.309 . . . . 65.22 110.3 175.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.418 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 36.0 m-85 -69.74 -28.27 65.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 71.53 110.408 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.532 ' O ' HG21 ' A' ' 67' ' ' VAL . 26.2 t70 -68.17 -35.81 78.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.576 -0.738 . . . . 63.32 110.582 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 20.5 ptmt -86.73 -20.76 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.552 -0.294 . . . . 54.04 111.098 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -63.71 -28.91 70.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.559 0.219 . . . . 74.33 111.093 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.954 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 8.8 m -63.22 -27.46 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 70.54 110.258 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 17.4 mt-10 -81.51 -38.11 26.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.781 -0.451 . . . . 64.35 109.781 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.24 -43.44 64.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.033 -0.53 . . . . 70.44 110.231 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG23 ' SD ' ' A' ' 149' ' ' MET . 96.3 t -65.73 -61.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.399 -0.819 . . . . 75.11 111.234 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.5 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 57.0 pttt -66.05 -20.82 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.524 0.565 . . . . 73.34 112.524 -172.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.9 t -65.45 -56.89 9.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.159 -0.216 . . . . 41.0 111.067 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -86.01 -17.47 35.17 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.457 0.539 . . . . 75.42 112.457 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 79' ' ' ASP . 12.1 p -70.62 -25.27 62.95 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 74.53 111.914 -176.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 74' ' ' THR . 15.5 t70 68.88 -64.96 0.3 Allowed 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.775 0.672 . . . . 73.24 110.281 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -145.47 61.74 1.28 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.347 -0.612 . . . . 73.55 109.347 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt 53.08 33.94 16.1 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.528 -0.76 . . . . 74.12 111.953 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -82.63 -31.05 28.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.85 0.357 . . . . 71.24 110.837 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.833 ' HB3' HG23 ' A' ' 74' ' ' THR . 7.6 t70 -77.85 141.8 38.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.479 . . . . 61.53 110.305 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.75 136.19 19.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.784 -0.821 . . . . 74.01 108.784 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.878 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 4.7 ptt180 -156.32 177.13 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.186 0.517 . . . . 73.43 112.119 -171.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -110.42 128.49 55.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.062 -0.972 . . . . 73.13 110.157 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 85' ' ' PHE . . . -128.7 129.84 46.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.992 -0.549 . . . . 73.42 109.628 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.704 HG12 ' HE1' ' A' ' 15' ' ' PHE . 59.1 t -122.7 122.11 65.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 120.873 0.368 . . . . 74.41 110.183 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 48.0 m-85 -128.62 134.37 48.55 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.653 -0.703 . . . . 73.23 109.388 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.605 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.4 t70 -94.23 98.3 10.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.683 -1.599 . . . . 74.33 106.683 164.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.694 ' CE1' ' HG ' ' A' ' 158' ' ' LEU . 4.6 p90 -98.81 128.01 44.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.444 0.64 . . . . 71.51 110.333 -171.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 33.4 ttmt -98.73 108.41 21.1 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.676 -0.693 . . . . 61.15 109.926 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 1.052 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.4 p90 -110.86 -175.41 2.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.27 -0.877 . . . . 70.01 109.506 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.5 p -112.74 121.86 45.96 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.2 0.524 . . . . 71.33 109.727 173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.9 t -96.33 134.19 39.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.814 -0.63 . . . . 71.01 109.605 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 m -65.88 114.6 5.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.589 . . . . 73.33 110.221 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.572 ' CG ' ' HB2' ' A' ' 96' ' ' ALA . 28.6 tpt180 -91.35 109.25 20.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.648 -0.706 . . . . 75.32 109.316 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.12 112.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 74.22 111.088 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 7.61 62.47 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.797 -0.638 . . . . 64.53 112.457 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.572 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . . . -148.86 -159.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.564 0.221 . . . . 71.34 110.714 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.68 175.52 22.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.88 -0.676 . . . . 74.13 112.615 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 p -53.1 129.57 31.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 74.15 111.838 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -115.37 123.43 48.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.211 -0.449 . . . . 75.3 110.247 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -71.82 129.65 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 72.4 110.4 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.6 tpp -141.1 138.97 33.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.622 -0.717 . . . . 74.33 110.529 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.7 p30 -109.81 149.9 29.15 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.64 -0.709 . . . . 72.44 109.822 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 1.06 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.81 134.91 3.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.509 . . . . 74.15 111.148 172.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.605 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 11.4 tt -75.98 124.2 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 74.12 110.88 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.503 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.7 pt -117.26 137.91 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.231 0.539 . . . . 73.51 111.421 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.525 ' HZ ' HD23 ' A' ' 133' ' ' LEU . 33.4 m-85 -94.12 103.49 15.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.505 -0.771 . . . . 75.43 110.533 174.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.674 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 4.4 tt -90.9 101.86 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.272 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 142' ' ' GLN . 14.0 tp60 -89.02 102.8 15.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.953 -0.567 . . . . 75.04 110.072 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.727 HD11 ' HG3' ' A' ' 81' ' ' ARG . 59.8 mt -76.83 95.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.612 -0.885 . . . . 75.21 108.612 172.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.74 98.16 13.55 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.077 -0.51 . . . . 73.53 110.211 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 19.7 Cg_exo -66.21 116.32 3.96 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.451 2.1 . . . . 74.34 110.154 171.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.585 ' HA ' ' NZ ' ' A' ' 119' ' ' LYS . 22.7 t70 -64.73 -41.96 95.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.475 -0.33 . . . . 71.41 111.109 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.02 44.39 2.98 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.871 -0.68 . . . . 72.41 112.202 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 111' ' ' PRO . . . -110.93 177.44 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.59 0.233 . . . . 71.31 111.125 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.586 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 40.4 m -46.99 105.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.209 0.943 . . . . 73.25 111.789 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.73 -38.59 72.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.651 0.611 . . . . 74.5 112.651 -170.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.795 0.331 . . . . 74.13 111.426 -174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.727 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -84.76 -23.02 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.894 -0.322 . . . . 74.33 111.144 -178.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.585 ' NZ ' ' HA ' ' A' ' 112' ' ' ASP . 1.5 tmtp? -71.68 -32.29 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.533 -0.543 . . . . 72.24 109.533 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.0 ttt -63.63 -36.85 85.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 62.31 110.182 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 32' ' ' ILE . 44.5 t -63.9 -48.7 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 74.31 110.159 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -63.26 -32.32 73.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.265 -0.425 . . . . 75.55 111.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.88 67.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.822 0.344 . . . . 72.35 110.67 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -83.18 -39.87 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.761 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.725 ' HB3' HG13 ' A' ' 5' ' ' VAL . 4.4 p -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.492 -0.322 . . . . 73.31 111.51 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.52 81.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.98 0.419 . . . . 75.21 110.422 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.51 -24.01 39.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 74.52 110.806 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.46 51.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.471 -0.331 . . . . 72.14 111.293 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 11' ' ' VAL . 5.6 tp -63.4 -37.26 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.499 -0.319 . . . . 75.55 111.457 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.96 -35.53 69.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 74.21 110.493 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.0 m -72.63 -26.99 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.681 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.7 m -65.86 -52.33 51.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.223 -0.444 . . . . 64.32 110.112 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.525 HD23 ' HZ ' ' A' ' 106' ' ' PHE . 10.7 mp -72.87 -26.3 61.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.295 -0.411 . . . . 74.14 111.677 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.19 46.0 63.21 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.228 -0.511 . . . . 73.12 112.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 m -85.62 -48.85 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 72.3 111.224 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.6 -30.56 4.5 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.006 -0.616 . . . . 63.03 114.058 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 59.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.688 0.756 . . . . 75.22 111.517 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -114.21 146.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.316 -0.856 . . . . 73.34 110.368 176.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.27 99.09 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.432 -0.951 . . . . 74.23 108.432 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.25 123.96 49.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.313 -0.858 . . . . 72.21 109.65 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.674 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 32.2 p90 -130.93 139.2 50.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.783 0.325 . . . . 74.01 111.138 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 108' ' ' GLN . 96.6 mt-30 -102.3 113.05 26.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.524 . . . . 75.14 109.691 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.473 HG12 ' HD2' ' A' ' 141' ' ' PHE . 31.5 m -120.52 149.88 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.263 -0.426 . . . . 75.32 111.083 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 50.2 m -110.23 -53.34 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.368 -0.378 . . . . 63.25 111.447 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -85.41 158.67 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.54 111.609 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.954 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 13.9 pt-20 -60.11 -33.59 72.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 74.11 111.364 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 m -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.197 0.523 . . . . 73.41 110.653 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.47 ' HB2' ' HB ' ' A' ' 143' ' ' VAL . 9.0 mm-40 -71.15 -29.29 65.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 75.44 110.853 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.462 ' HB3' HG23 ' A' ' 143' ' ' VAL . 23.2 ptp -102.35 11.97 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.018 -0.537 . . . . 75.53 110.862 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 60.3 m -75.38 152.66 38.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.804 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 63' ' ' PHE . 28.9 p80 -57.24 -29.17 63.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.873 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -56.37 -50.51 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.882 0.372 . . . . 74.33 110.874 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 64.7 mm-40 -75.31 -30.56 60.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 73.43 111.211 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 30.3 mt -57.09 -43.77 82.5 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.015 -0.274 . . . . 72.32 110.304 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.1 tt -68.89 -44.39 73.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.238 -0.437 . . . . 72.21 109.832 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.472 HD21 ' HD3' ' A' ' 157' ' ' LYS . 8.8 t30 -60.01 -51.25 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.771 -0.65 . . . . 63.11 111.716 -176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 69.1 mmtt -64.23 -43.75 93.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.371 0.605 . . . . 71.53 109.77 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.694 ' HG ' ' CE1' ' A' ' 87' ' ' PHE . 3.6 mm? -66.71 -10.82 50.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.078 -0.965 . . . . 73.24 112.036 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.81 -55.01 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.707 -0.759 . . . . 73.03 112.124 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 8.2 pt-20 -64.85 -22.13 66.93 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.64 0.607 . . . . 74.41 112.64 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -56.48 -41.35 76.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.696 0.284 . . . . 73.32 110.758 -175.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.721 ' H ' ' HD3' ' A' ' 161' ' ' LYS . 39.8 m-85 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 75.34 111.784 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.19 0.519 . . . . 72.14 111.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -99.66 -12.57 19.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.872 -0.604 . . . . 72.13 110.175 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 69.59 0.95 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.636 -0.793 . . . . 73.24 111.691 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.55 123.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.886 0.374 . . . . 75.24 110.091 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.542 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 22.8 ptm -99.45 171.29 8.04 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.459 -0.571 . . . . 74.54 109.459 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.636 HG22 ' HB ' ' A' ' 37' ' ' VAL . 7.4 p -130.05 131.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 120.974 -0.29 . . . . 71.31 110.798 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -56.24 124.9 62.91 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.612 -0.514 . . . . 72.32 109.612 171.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 8' ' ' ASP . 67.3 Cg_exo -52.77 -26.41 30.34 Favored 'Trans proline' 0 N--CA 1.472 0.235 0 C-N-CA 123.526 2.817 . . . . 73.11 114.32 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB3' HG13 ' A' ' 39' ' ' VAL . 24.7 t70 -66.3 -24.44 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.658 0.266 . . . . 73.34 111.345 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG13 ' CE2' ' A' ' 15' ' ' PHE . 59.8 t -60.27 -48.75 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.641 -0.503 . . . . 75.22 109.641 175.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 51.1 mt-30 -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 73.2 110.765 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -60.19 -40.82 91.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 74.41 110.451 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.789 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 54.0 m -64.73 -39.72 94.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.941 -0.572 . . . . 74.21 110.64 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 35.7 m-85 -58.89 -41.07 86.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.06 0.457 . . . . 73.33 110.55 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.97 -54.51 29.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.267 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.789 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 52.1 pttt -67.32 -17.84 64.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.704 0.261 . . . . 73.04 111.704 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 27' ' ' TYR . 9.5 tt -76.19 -61.26 2.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 75.34 110.06 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.6 -34.22 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 72.52 110.918 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -85.55 -5.67 59.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 73.23 110.028 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.1 -102.18 0.74 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.049 -0.82 . . . . 54.41 111.049 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.703 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . 23.6 mmt180 -112.25 -71.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.623 -0.431 . . . . 75.44 110.072 174.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.7 mmtp -177.49 -77.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.456 1.102 . . . . 73.24 108.92 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 4.9 mp0 -80.16 16.57 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.015 0.436 . . . . 75.35 110.465 174.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.703 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -93.7 123.17 36.85 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.337 -0.616 . . . . 74.0 109.337 -178.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.676 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 41.92 114.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.974 1.422 . . . . 72.42 112.505 -167.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.778 ' HA ' HD12 ' A' ' 18' ' ' LEU . 10.2 p90 -107.85 166.46 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.431 -0.804 . . . . 74.24 110.717 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.705 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -109.91 120.0 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.479 0.657 . . . . 71.14 111.626 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.474 ' HB ' ' HB1' ' A' ' 41' ' ' ALA . 38.3 mm -115.39 116.54 52.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.342 -0.844 . . . . 74.11 109.265 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.705 ' HD1' HG13 ' A' ' 28' ' ' ILE . 11.5 p90 -134.93 157.99 45.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 73.43 111.698 -174.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.988 ' HG2' HH11 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -136.97 173.48 11.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 75.12 109.991 -176.572 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.424 HD12 HG23 ' A' ' 37' ' ' VAL . 35.5 mm -105.17 118.23 52.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.014 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -134.3 151.56 51.32 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.359 -0.978 . . . . 73.32 108.359 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.23 -99.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.524 -0.547 . . . . 74.53 109.524 -171.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -146.13 20.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 73.32 110.404 176.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.78 171.82 13.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 72.12 111.617 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.636 ' HB ' HG22 ' A' ' 7' ' ' VAL . 40.6 t -81.98 129.08 38.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.5 -0.773 . . . . 75.42 110.384 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.582 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 44.2 pt -118.06 139.83 43.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 74.14 110.739 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 10' ' ' ASP . 3.3 p -86.51 129.04 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 73.33 109.889 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.488 ' CD ' ' HZ2' ' A' ' 31' ' ' LYS . 36.7 tt0 -111.38 -45.54 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.925 0.393 . . . . 75.33 110.839 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -135.83 135.81 40.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.937 0.399 . . . . 71.31 111.406 -176.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.619 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -143.92 74.43 1.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.301 -0.863 . . . . 73.21 109.497 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 29.1 m -132.48 166.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.76 . . . . 73.41 110.247 -176.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.696 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 12.1 t -98.63 150.25 21.95 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.749 0.309 . . . . 73.13 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -71.1 -20.45 62.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.047 0.451 . . . . 63.42 110.078 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.629 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 6.4 t70 -65.85 -27.95 68.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.721 . . . . 71.52 111.518 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.696 ' HG2' ' O ' ' A' ' 44' ' ' THR . 20.0 pt20 -89.86 -12.73 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.695 0.258 . . . . 75.21 111.695 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.8 -5.96 23.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.65 -0.42 . . . . 75.54 111.553 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.82 2.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.063 -1.065 . . . . 72.14 113.508 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.629 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 14.7 mm -82.16 164.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.428 -0.582 . . . . 71.44 109.428 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.438 ' H ' HG21 ' A' ' 50' ' ' ILE . 21.3 p -80.22 -50.58 10.05 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.305 0.854 . . . . 72.54 113.305 -171.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.96 -83.93 0.11 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 119.626 -1.273 . . . . 64.31 114.067 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.674 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 5.1 m-20 -70.79 132.25 45.04 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.703 0.26 . . . . 72.23 111.703 -172.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.22 -65.91 0.54 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.932 0.715 . . . . 74.32 112.932 -170.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.703 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 57.7 t80 -109.49 -18.86 13.43 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.764 -0.585 . . . . 74.55 110.336 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.674 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 28.4 t70 -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.906 -0.588 . . . . 64.33 110.243 177.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -113.68 3.81 15.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.275 0.559 . . . . 74.25 110.05 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m 66.0 38.18 5.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.424 -0.807 . . . . 72.02 112.234 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.481 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 49.7 m -79.46 -12.08 59.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 74.11 111.409 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.479 ' CG ' ' HB2' ' A' ' 151' ' ' HIS . 12.5 pttm -55.4 -23.45 24.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.188 -0.46 . . . . 74.43 111.214 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.6 -29.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.007 -0.542 . . . . 71.11 111.121 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.91 -36.72 72.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.04 -0.527 . . . . 74.25 111.663 176.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.585 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 81.2 m-85 -65.89 -22.85 66.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.822 0.344 . . . . 65.54 111.407 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.641 ' HB2' ' CD2' ' A' ' 151' ' ' HIS . 8.6 t70 -69.95 -46.78 64.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.076 -0.511 . . . . 73.04 111.289 -174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HZ2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -72.29 -17.64 61.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 75.03 111.661 -174.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.498 ' O ' HG21 ' A' ' 70' ' ' VAL . 28.6 m-85 -84.65 -28.53 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.217 0.451 . . . . 72.53 112.217 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 64' ' ' ASP . 21.4 m -61.04 -23.9 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.957 0.408 . . . . 72.45 111.397 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 77.4 mm-40 -74.78 -57.57 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.392 . . . . 74.3 110.431 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.43 -32.86 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 64.22 110.404 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 66' ' ' PHE . 53.7 t -61.39 -53.46 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.608 -0.724 . . . . 72.11 110.985 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.689 ' HD3' ' HG2' ' A' ' 146' ' ' GLU . 18.6 pttm -79.76 -21.03 44.92 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.006 -1.078 . . . . 73.04 111.583 -171.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.0 m -75.55 -30.52 59.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.623 0.249 . . . . 75.32 111.214 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -85.91 -24.54 26.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.913 -0.315 . . . . 75.41 111.066 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.522 HG22 ' HB3' ' A' ' 79' ' ' ASP . 53.9 p -94.78 2.52 55.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.646 -0.252 . . . . 72.2 111.335 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' THR . 22.2 t70 70.4 -64.99 0.34 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.856 0.723 . . . . 74.22 110.325 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -141.89 -77.84 0.26 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 73.34 109.633 175.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -150.13 34.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 71.02 110.634 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -75.48 -24.92 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 72.01 111.274 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.522 ' HB3' HG22 ' A' ' 74' ' ' THR . 31.6 t70 -108.89 144.58 36.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.045 -172.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -139.03 135.76 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.645 . . . . 62.13 110.034 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.988 HH11 ' HG2' ' A' ' 31' ' ' LYS . 26.0 mtt180 -145.47 166.7 24.9 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.71 0.29 . . . . 73.53 111.511 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.639 ' HE2' ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -117.5 128.18 54.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.095 -0.502 . . . . 73.05 109.679 -177.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.48 150.75 47.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.255 -0.276 . . . . 75.02 110.255 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -134.62 130.73 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.931 0.396 . . . . 64.51 111.122 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -137.79 138.45 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.744 -0.662 . . . . 73.42 109.684 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.5 t70 -100.56 99.4 9.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.96 -1.126 . . . . 62.54 107.96 169.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -102.56 143.31 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.907 -0.405 . . . . 73.33 109.907 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 102' ' ' ASP . 9.1 ptpp? -112.88 148.22 35.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.229 0.538 . . . . 71.11 109.967 175.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.703 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.5 p90 -143.81 172.95 12.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.421 -0.809 . . . . 63.01 109.91 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 99' ' ' SER . 19.6 p -134.16 122.72 23.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.085 -0.507 . . . . 75.04 110.831 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.1 m -99.08 131.26 45.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.007 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -74.96 109.17 8.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.312 0.577 . . . . 53.22 109.77 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.803 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 79.9 ttt180 -73.26 142.15 47.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.462 -0.79 . . . . 74.52 110.136 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.51 113.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 71.33 110.746 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.72 10.45 85.14 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.68 -0.691 . . . . 54.24 112.368 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 93' ' ' ARG . . . -138.53 -166.51 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 61.05 111.041 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.6 -144.31 13.59 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.719 -0.753 . . . . 72.22 112.322 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -80.38 140.71 35.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.401 0.62 . . . . 75.42 112.068 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.1 m -118.55 114.95 23.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.495 -0.775 . . . . 65.2 109.16 171.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -82.26 126.4 32.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.021 0.438 . . . . 74.52 110.529 -178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -134.09 140.05 46.36 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.842 -0.799 . . . . 71.0 108.842 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.408 ' HB3' ' CB ' ' A' ' 88' ' ' LYS . 1.5 p30 -130.63 144.59 51.53 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.121 -0.325 . . . . 74.11 110.121 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HB2' ' HE2' ' A' ' 103' ' ' LYS . 8.9 tppt? -160.26 133.6 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.071 0.462 . . . . 75.15 111.161 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 tt -72.21 120.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.444 -0.798 . . . . 73.01 110.576 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 141' ' ' PHE . 32.9 pt -108.34 141.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.016 0.436 . . . . 74.33 110.619 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.557 ' CE2' HG23 ' A' ' 138' ' ' ILE . 29.4 m-85 -95.73 107.08 19.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.936 -0.575 . . . . 75.52 110.181 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 141' ' ' PHE . 27.7 tp -95.32 102.49 14.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.587 -0.733 . . . . 71.03 110.269 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.438 ' OE1' ' HB2' ' A' ' 126' ' ' ALA . 29.1 tt0 -111.61 105.53 14.1 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.613 -0.514 . . . . 71.45 109.613 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.2 mt -89.48 103.57 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.84 -0.8 . . . . 74.42 108.84 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 76.7 m -146.04 99.14 4.32 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 73.32 111.536 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.853 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 32.2 Cg_exo -63.13 147.96 93.7 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.907 2.405 . . . . 73.32 111.217 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.541 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 38.7 t70 -87.01 -32.76 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.424 -0.584 . . . . 74.44 109.424 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.75 34.14 2.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.154 -0.778 . . . . 62.45 111.154 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.853 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.567 . . . . 75.14 110.31 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -57.29 102.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 74.52 110.707 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 75.6 mt -54.18 -39.56 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.235 0.828 . . . . 72.23 113.235 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -62.59 -54.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.745 -0.382 . . . . 75.15 111.355 -175.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -75.06 -28.47 60.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 75.03 110.294 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 34.2 ttpt -59.95 -43.67 94.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.238 0.542 . . . . 74.52 110.028 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.37 -32.03 73.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.733 . . . . 71.15 111.339 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 117' ' ' LYS . 26.1 t -73.35 -41.95 57.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.589 -0.278 . . . . 74.13 110.82 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 81' ' ' ARG . 30.7 m-85 -63.26 -35.69 81.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 71.45 111.094 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -28.02 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 62.11 110.835 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.1 m -84.56 -32.88 23.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 72.54 110.832 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 p -68.05 -20.59 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.674 0.274 . . . . 71.21 111.205 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.639 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -56.74 -43.89 81.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.0 0.429 . . . . 70.51 110.467 173.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.23 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 71.42 110.731 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.72 -47.52 75.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 73.4 110.999 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.84 -31.06 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.171 0.51 . . . . 74.32 110.245 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -71.63 -35.52 70.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 75.25 110.472 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.5 m -79.0 -36.37 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.317 -0.401 . . . . 73.34 111.246 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 p -70.82 -29.47 65.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.396 -0.365 . . . . 64.12 111.754 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD11 ' CD2' ' A' ' 15' ' ' PHE . 9.3 mp -100.95 -25.68 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 73.32 111.018 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.459 ' C ' ' HG1' ' A' ' 135' ' ' THR . . . 81.6 -67.95 3.56 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.366 -0.694 . . . . 51.44 111.366 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.459 ' HG1' ' C ' ' A' ' 134' ' ' GLY . 55.8 p 50.7 -97.04 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.94 0.896 . . . . 55.12 112.83 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.12 88.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.104 -0.57 . . . . 73.11 112.692 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.935 ' HE2' ' HA ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -143.6 38.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 75.02 109.759 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.557 HG23 ' CE2' ' A' ' 106' ' ' PHE . 1.6 pp -102.45 162.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.81 -0.632 . . . . 74.31 111.703 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.87 99.19 7.11 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.626 -0.879 . . . . 74.25 108.626 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.86 128.11 39.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.612 -0.722 . . . . 75.22 109.282 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 107' ' ' LEU . 13.6 p90 -124.35 118.88 27.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.314 0.578 . . . . 75.01 110.104 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 77.1 mt-30 -94.3 114.11 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.45 -0.795 . . . . 65.33 110.027 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.9 170.09 8.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.933 -0.576 . . . . 70.42 110.302 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 p -141.52 -27.01 0.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.899 0.38 . . . . 74.03 111.321 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.578 ' HB3' ' HG3' ' A' ' 148' ' ' GLU . 19.7 t70 -98.7 146.0 26.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.28 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.689 ' HG2' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.32 -17.23 64.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.646 0.61 . . . . 74.45 112.646 -176.019 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 71.1 m -81.55 -16.98 50.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 51.25 110.449 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.578 ' HG3' ' HB3' ' A' ' 145' ' ' ASP . 43.1 mt-10 -81.4 -29.07 34.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.421 . . . . 74.25 110.344 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.467 ' HG2' ' HA ' ' A' ' 146' ' ' GLU . 26.4 ptm -93.66 8.53 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 62.11 110.958 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.2 m -68.88 152.03 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.256 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' A' ' 64' ' ' ASP . 7.0 p80 -64.81 -25.61 67.98 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.877 0.325 . . . . 74.34 111.877 -173.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -58.93 -42.46 89.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.08 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 60.4 mm-40 -80.96 -24.08 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.746 0.647 . . . . 70.04 112.746 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.65 -42.25 87.93 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.467 -0.493 . . . . 75.12 110.081 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 155' ' ' LEU . 7.1 tt -69.6 -39.08 77.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.9 -0.591 . . . . 72.54 109.582 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -62.51 -45.89 90.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.29 -0.414 . . . . 72.34 111.217 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 60.0 mmtt -66.43 -39.86 89.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.989 0.423 . . . . 73.12 111.434 -175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.0 tp -82.43 -31.73 29.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.28 0.562 . . . . 74.05 110.47 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -76.55 -28.49 59.42 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.366 -0.834 . . . . 23.3 113.764 -174.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.877 ' HG3' ' HD2' ' A' ' 161' ' ' LYS . 6.8 pt-20 -60.64 -45.27 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.644 0.722 . . . . 63.35 111.274 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.877 ' HD2' ' HG3' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -85.96 -69.83 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.741 -0.384 . . . . 74.41 112.025 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 112.515 0.561 . . . . 73.53 112.515 -170.319 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 3' ' ' SER . 17.2 tmm? . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.665 0.269 . . . . 74.14 110.35 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -76.04 34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.119 0.485 . . . . 71.33 110.652 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 1' ' ' MET . 3.2 m -76.72 -24.02 53.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.897 -0.592 . . . . 74.31 110.789 -175.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 71.93 1.3 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.488 -0.863 . . . . 73.23 111.993 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.98 130.59 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.961 0.41 . . . . 70.24 111.119 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 ptp -120.01 170.29 9.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.795 -0.638 . . . . 73.52 109.516 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.21 139.14 36.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.869 -0.332 . . . . 74.11 111.24 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.603 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.18 128.63 93.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.205 -0.665 . . . . 53.52 109.205 170.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -45.21 -36.56 12.44 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.675 2.917 . . . . 74.24 114.499 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.79 -16.9 64.23 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.448 0.536 . . . . 65.5 112.448 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.544 HG11 HD13 ' A' ' 129' ' ' ILE . 79.1 t -58.5 -53.26 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 74.43 110.119 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 43.5 mt-30 -64.38 -37.1 86.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.563 . . . . 73.4 110.862 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 m -59.1 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 72.14 110.805 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 m -67.53 -28.06 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 75.41 110.874 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.653 ' HE1' HG12 ' A' ' 84' ' ' VAL . 20.1 m-85 -77.05 -28.48 54.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 73.42 111.444 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 17.6 mm-40 -64.52 -54.37 33.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 74.52 110.917 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HZ3' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.24 -14.79 61.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.143 -0.481 . . . . 72.23 112.043 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' O ' ' A' ' 26' ' ' ARG . 52.9 tp -87.93 -57.31 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.702 -0.481 . . . . 73.02 109.702 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.8 m -59.14 -53.57 56.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.33 111.884 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -103.72 12.83 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.905 0.383 . . . . 70.32 111.381 -174.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.63 -96.26 0.97 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.286 -0.959 . . . . 71.41 112.984 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.7 mmt180 -70.59 -20.73 62.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 75.14 112.601 -174.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 19.9 mtpp 70.82 -86.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.69 0.619 . . . . 74.42 111.993 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.576 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -108.72 17.87 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 73.52 110.882 -172.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -130.71 137.57 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.615 -0.434 . . . . 73.23 111.393 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.813 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 29.7 mtt180 66.26 115.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.039 -0.982 . . . . 75.31 110.52 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -111.99 178.67 4.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 72.43 111.955 -167.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.522 HG13 ' CD1' ' A' ' 30' ' ' PHE . 5.4 tp -119.58 126.08 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 71.22 110.94 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -115.45 108.37 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 74.41 109.324 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD1' HG13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -134.87 130.57 36.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 73.21 111.598 -175.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HE2' ' HD3' ' A' ' 81' ' ' ARG . 1.2 mptm? -118.13 -179.55 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 71.04 110.184 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.02 127.86 50.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.327 -0.397 . . . . 71.41 110.12 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' HB2' HD11 ' A' ' 38' ' ' ILE . 28.6 t70 -125.62 122.28 35.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.352 -0.61 . . . . 72.21 109.352 174.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 63.94 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 74.13 111.643 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -152.98 14.55 0.53 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.184 0.439 . . . . 65.31 112.184 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -143.95 160.04 41.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.084 -0.646 . . . . 74.44 111.045 176.24 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 22.8 t -77.5 130.4 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.619 -0.719 . . . . 75.41 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.525 HG22 ' HE3' ' A' ' 36' ' ' LYS . 43.9 pt -119.44 141.72 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 71.54 111.293 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -85.73 108.64 17.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.296 -0.411 . . . . 75.31 110.03 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' CD ' ' HD3' ' A' ' 31' ' ' LYS . 92.5 mt-10 -80.84 -42.51 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.48 -0.327 . . . . 74.13 110.37 178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 140.07 19.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.125 0.488 . . . . 73.34 112.019 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . . . -115.32 75.22 0.93 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.477 -0.934 . . . . 72.21 108.477 168.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.06 144.01 31.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.266 -0.879 . . . . 74.32 111.636 -167.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.813 ' HB ' ' HG2' ' A' ' 26' ' ' ARG . 10.2 t -100.96 163.91 12.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.301 -0.629 . . . . 75.14 109.301 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 12.5 pt20 -83.97 -19.59 34.34 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.507 -0.477 . . . . 72.34 110.068 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.664 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.5 p30 -77.18 -15.66 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 75.43 111.236 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' H ' HG21 ' A' ' 44' ' ' THR . 20.2 pt20 -91.34 -13.35 32.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.88 -0.328 . . . . 71.35 111.088 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -99.1 -15.17 19.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.724 -0.39 . . . . 71.45 111.478 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.2 -20.65 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.984 -1.103 . . . . 74.44 113.266 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.723 HG22 ' H ' ' A' ' 51' ' ' THR . 7.2 mm -86.74 178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.188 -0.671 . . . . 72.31 109.188 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -97.89 -34.73 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.463 0.542 . . . . 74.53 112.463 -176.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.58 -78.41 0.3 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 119.675 -1.25 . . . . 52.54 114.61 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 9.7 m-20 -64.06 126.86 29.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.869 0.322 . . . . 75.12 111.869 -170.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.598 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 14.1 t70 -53.58 -64.97 0.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.89 -0.595 . . . . 73.41 112.155 -176.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -100.91 -39.4 7.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.308 -0.557 . . . . 72.42 110.47 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 24.4 t70 -54.75 -42.24 71.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 73.44 110.831 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 58' ' ' SER . 5.0 t70 -96.69 -26.18 15.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.714 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 21.8 t 83.7 35.51 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.234 0.959 . . . . 64.52 110.315 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 75.0 m -81.46 1.31 33.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.787 -0.642 . . . . 74.31 111.252 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.598 ' HD2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.33 -24.8 57.41 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.292 0.237 . . . . 73.31 111.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.27 -31.11 42.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.395 -0.366 . . . . 72.52 111.038 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.16 79.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.386 . . . . 73.14 110.114 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 98.3 m-85 -65.38 -26.16 67.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.805 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -69.46 -38.03 77.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.854 -0.612 . . . . 73.22 110.823 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -86.92 -23.9 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.319 . . . . 73.04 111.333 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.513 ' O ' HG21 ' A' ' 70' ' ' VAL . 6.3 m-30 -61.56 -34.68 75.99 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.842 0.312 . . . . 74.2 111.842 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.776 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 34.6 m -63.37 -32.49 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 73.54 111.021 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -69.97 -41.92 73.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.392 0.615 . . . . 71.3 110.131 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 17.0 t70 -60.25 -36.53 77.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.261 -0.882 . . . . 73.32 109.381 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 66' ' ' PHE . 77.0 t -58.15 -46.28 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 115.487 -0.779 . . . . 74.14 111.212 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -80.21 -21.0 43.36 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 118.891 -1.124 . . . . 74.1 110.836 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -75.45 -48.31 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.329 -0.396 . . . . 74.22 110.96 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 52.3 ptt85 -78.96 -31.65 45.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.782 0.29 . . . . 75.41 111.782 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 79' ' ' ASP . 2.8 m -101.15 15.33 29.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.794 0.33 . . . . 75.2 111.812 -174.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.14 -77.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.873 0.694 . . . . 74.24 112.873 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.421 ' HB3' ' H ' ' A' ' 77' ' ' LEU . 5.4 t-20 -103.91 -82.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.732 0.301 . . . . 75.03 110.266 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 76' ' ' ASN . 1.8 pt? -161.89 23.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 74.22 108.768 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.73 29.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.899 -1.046 . . . . 72.11 111.899 -171.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 74' ' ' THR . 17.2 t70 -98.4 139.78 33.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.51 -0.552 . . . . 75.22 109.51 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.471 ' HA ' HG23 ' A' ' 109' ' ' ILE . 30.8 m -147.76 134.46 19.96 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.179 -1.045 . . . . 72.54 108.179 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.538 ' HD3' ' HE2' ' A' ' 31' ' ' LYS . 4.2 ptp180 -163.96 175.67 10.12 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.973 -0.38 . . . . 74.54 109.973 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.407 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.1 m-85 -112.94 128.17 56.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.779 -0.646 . . . . 74.34 109.334 166.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -131.75 130.22 41.63 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.925 -0.58 . . . . 71.45 109.698 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.653 HG12 ' HE1' ' A' ' 15' ' ' PHE . 68.6 t -124.86 122.37 63.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.274 0.559 . . . . 71.33 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.421 ' CE2' ' HB1' ' A' ' 83' ' ' ALA . 53.4 m-85 -129.66 131.02 46.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.349 -0.841 . . . . 72.52 109.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.7 t70 -90.95 97.79 11.39 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.305 -1.739 . . . . 63.43 106.305 165.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -101.93 135.07 44.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.423 0.63 . . . . 71.42 110.491 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.609 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 31.2 ttmt -94.69 109.95 21.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.349 -0.841 . . . . 75.41 110.694 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CE1' HD23 ' A' ' 158' ' ' LEU . 11.3 p90 -121.48 -171.64 2.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.16 -0.927 . . . . 71.01 109.658 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.567 ' HB ' HG23 ' A' ' 98' ' ' THR . 27.7 p -123.57 124.54 43.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.661 0.267 . . . . 74.23 110.72 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.1 t -96.86 140.18 31.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.967 -0.56 . . . . 71.24 109.708 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -82.02 101.6 10.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.99 -0.55 . . . . 74.34 110.334 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -72.26 120.45 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.579 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.82 116.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 75.03 109.958 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.31 -12.04 47.84 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.372 -0.691 . . . . 74.44 111.372 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.12 -160.64 1.09 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.081 -0.34 . . . . 73.03 110.081 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.55 -135.76 6.78 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.617 -0.801 . . . . 64.45 112.595 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.567 HG23 ' HB ' ' A' ' 90' ' ' THR . 52.5 m -70.77 134.85 47.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.827 0.346 . . . . 64.2 111.302 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -139.06 121.13 15.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 72.02 110.139 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.609 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 4.9 tmmm? -68.91 130.5 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.084 -176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.1 136.55 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 73.42 110.092 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.34 129.45 53.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.398 -0.364 . . . . 72.23 110.343 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.87 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -164.76 164.3 21.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.611 0.719 . . . . 75.01 112.918 177.119 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 6.7 tt -95.04 140.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.326 -1.307 . . . . 73.1 111.864 -168.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.469 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.9 pt -130.01 144.19 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.125 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.685 ' HE1' HG23 ' A' ' 138' ' ' ILE . 31.0 m-85 -93.11 112.5 24.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 74.04 110.462 172.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 7.1 tt -94.89 103.0 14.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.722 -0.473 . . . . 71.12 109.722 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.626 HE22 ' HB3' ' A' ' 122' ' ' TYR . 5.4 tp60 -103.21 115.01 29.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.75 -0.659 . . . . 73.32 109.306 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' HA ' ' A' ' 80' ' ' CYS . 8.9 tt -104.44 108.9 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.369 0.604 . . . . 73.45 110.059 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.8 t -122.86 85.6 50.15 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.419 -0.809 . . . . 75.55 110.791 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.826 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 31.5 Cg_exo -62.15 122.53 11.03 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.901 2.401 . . . . 70.22 111.059 174.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.82 -43.05 99.62 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.39 -0.524 . . . . 74.14 109.798 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.93 50.41 4.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.957 -0.64 . . . . 73.32 112.302 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -125.47 176.81 6.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.648 0.261 . . . . 72.41 110.841 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 m -62.88 101.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.804 -0.635 . . . . 73.44 110.88 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.38 -44.48 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -49.98 -64.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.833 0.349 . . . . 74.21 111.609 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.34 -24.11 59.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 73.43 111.168 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 35.9 ttpt -74.14 -39.76 63.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.964 0.411 . . . . 75.44 110.625 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' A' ' 1' ' ' MET . 19.1 ttt -68.09 -21.75 64.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 72.23 109.936 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.26 -35.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 72.51 109.992 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.626 ' HB3' HE22 ' A' ' 108' ' ' GLN . 50.2 m-85 -66.97 -25.1 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 74.45 111.396 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.73 -36.7 73.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 74.14 109.967 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 m -70.59 -29.42 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 72.14 110.044 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.0 m -69.65 -36.12 75.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.559 -0.746 . . . . 70.43 111.478 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.02 -41.4 59.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.909 0.385 . . . . 74.21 111.625 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.84 71.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.544 . . . . 71.3 110.571 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -51.2 50.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 71.21 112.046 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.544 HD13 HG11 ' A' ' 11' ' ' VAL . 5.7 tp -63.71 -37.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.716 -0.22 . . . . 72.15 111.463 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 27.6 ttpt -74.08 -42.99 59.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 61.41 110.224 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 55.3 m -65.18 -34.81 79.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.045 -0.525 . . . . 71.32 110.769 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -29.56 66.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.374 -0.376 . . . . 75.31 111.037 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.475 HD21 ' HZ ' ' A' ' 106' ' ' PHE . 10.5 mp -92.42 -28.51 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.39 -0.524 . . . . 72.55 111.938 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 50.08 41.98 38.95 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 121.424 -0.417 . . . . 62.12 113.114 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.5 HG21 HG21 ' A' ' 138' ' ' ILE . 2.9 m -68.02 -44.45 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 70.22 111.527 -175.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.12 -31.54 2.05 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 116.23 -0.441 . . . . 73.53 113.402 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -128.25 95.77 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.99 0.424 . . . . 72.53 110.083 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.685 HG23 ' HE1' ' A' ' 106' ' ' PHE . 1.6 pp -149.16 159.35 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.832 -0.622 . . . . 75.54 111.147 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 139' ' ' LEU . 4.1 mm? -110.19 99.9 8.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.095 -0.706 . . . . 73.43 109.095 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -104.52 100.82 10.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.888 -0.596 . . . . 71.23 109.768 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.539 ' HD2' HG11 ' A' ' 143' ' ' VAL . 36.0 p90 -100.62 152.44 20.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.955 -0.566 . . . . 73.24 110.95 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -112.99 105.79 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.198 0.523 . . . . 74.54 110.302 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.539 HG11 ' HD2' ' A' ' 141' ' ' PHE . 26.9 m -105.28 165.27 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.594 -0.73 . . . . 74.31 110.111 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 56.7 p -136.3 -27.12 1.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.833 0.349 . . . . 71.43 111.24 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.85 154.66 23.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.792 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.776 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 9.6 pt-20 -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 74.13 111.612 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.2 t -70.15 -24.84 63.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.345 -0.389 . . . . 73.25 110.402 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.93 -24.94 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 71.32 110.656 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.47 ' HB2' HD13 ' A' ' 107' ' ' LEU . 25.9 ptm -103.55 19.33 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.975 0.416 . . . . 71.22 110.803 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 38.8 m -80.21 162.85 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.666 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.597 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 32.1 p80 -60.18 -38.68 83.96 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.63 0.604 . . . . 65.34 112.63 -172.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -61.84 -50.34 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.735 0.302 . . . . 73.41 110.493 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.755 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 6.1 mm-40 -62.75 -40.76 98.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.172 -0.467 . . . . 71.31 111.417 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 150' ' ' SER . 30.0 mt -56.61 -48.31 77.73 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.976 -0.29 . . . . 74.54 110.58 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 8.1 tt -60.84 -45.02 96.14 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.512 -0.551 . . . . 72.44 109.512 177.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -58.8 -46.38 87.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.316 -0.856 . . . . 71.22 111.323 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.755 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 66.8 mmtt -63.85 -48.73 75.58 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.04 0.448 . . . . 74.15 110.6 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 89' ' ' PHE . 18.1 tp -74.54 -11.32 60.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.655 -175.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -91.81 -46.31 3.71 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.57 -0.824 . . . . 72.52 111.963 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.722 ' HB2' ' HB3' ' A' ' 165' ' ' HIS . 14.1 pt-20 -65.58 -29.25 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.758 0.279 . . . . 71.41 111.288 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.5 ' HD2' ' CD2' ' A' ' 162' ' ' TYR . 3.4 pptp? -49.07 -49.02 43.55 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.552 0.533 . . . . 74.14 112.311 -175.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.5 ' CD2' ' HD2' ' A' ' 161' ' ' LYS . 17.5 m-85 -122.68 0.25 9.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.396 . . . . 71.21 111.103 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -108.08 -141.04 9.55 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.773 -0.727 . . . . 73.12 111.659 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -75.93 124.4 27.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 73.32 110.887 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 160' ' ' GLU . 14.7 p-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.462 -0.78 . . . . 74.41 110.014 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 108.601 -0.888 . . . . 73.12 108.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -73.31 105.09 4.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.0 0.429 . . . . 73.11 110.125 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -99.38 1.53 44.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.54 . . . . 61.12 110.152 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.09 70.32 1.14 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.316 -1.114 . . . . 54.34 110.316 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.56 130.09 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.231 0.539 . . . . 74.41 111.33 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 86.1 mtp -99.24 158.11 15.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.614 -0.721 . . . . 72.34 109.567 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.608 HG12 ' HB3' ' A' ' 132' ' ' SER . 3.5 p -111.52 112.74 41.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.036 0.446 . . . . 72.14 110.435 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.612 ' O ' HG21 ' A' ' 11' ' ' VAL . 18.5 t70 -69.68 131.0 89.87 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.773 -0.454 . . . . 72.41 109.773 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -56.53 -26.09 62.12 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 123.274 2.649 . . . . 75.24 113.717 -173.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.69 -24.6 67.62 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.056 0.391 . . . . 74.03 112.056 -175.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 8' ' ' ASP . 17.8 m -68.6 -42.09 83.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.449 -0.575 . . . . 74.34 109.449 174.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -69.66 -35.92 75.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.542 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 m -59.44 -41.62 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.366 0.603 . . . . 75.12 110.308 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.497 ' CB ' HD12 ' A' ' 28' ' ' ILE . 38.2 m -69.35 -34.13 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.625 -0.716 . . . . 75.45 110.858 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.628 ' CZ ' HG23 ' A' ' 84' ' ' VAL . 19.7 m-85 -63.9 -26.15 68.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 74.34 111.398 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 15.8 mm100 -84.55 -42.12 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 75.14 111.403 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.732 ' HZ3' ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -59.24 -31.57 69.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.942 0.719 . . . . 72.24 112.942 -170.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -89.91 -36.15 15.19 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.413 -0.515 . . . . 70.2 110.618 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -67.21 -40.61 86.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 74.22 111.002 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.1 pt-20 -91.7 -3.26 56.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.322 . . . . 75.33 111.089 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.95 -114.63 0.72 Allowed Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.005 -0.838 . . . . 72.31 111.005 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -91.87 -68.87 0.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.611 -0.885 . . . . 73.13 108.611 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? 179.17 -70.76 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.321 -0.854 . . . . 74.41 109.883 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.762 ' HB3' ' HH ' ' A' ' 27' ' ' TYR . 40.5 mp0 -85.28 13.09 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.018 -0.537 . . . . 74.13 111.957 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -88.82 119.94 29.77 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.211 -0.596 . . . . 73.34 111.178 -174.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.949 ' H ' ' HB ' ' A' ' 44' ' ' THR . 65.3 mtt85 55.58 116.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.395 -1.275 . . . . 71.14 112.515 -175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.762 ' HH ' ' HB3' ' A' ' 24' ' ' GLU . 61.2 m-85 -100.46 173.47 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 75.22 110.539 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.616 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.0 tp -116.91 121.14 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.544 0.687 . . . . 73.14 111.342 -176.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.47 119.01 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.32 -0.855 . . . . 75.51 108.842 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' HD1' HG13 ' A' ' 28' ' ' ILE . 3.1 p90 -134.47 151.21 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.348 0.594 . . . . 74.34 111.789 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' HG3' ' A' ' 40' ' ' GLU . 55.9 mtpt -139.36 -172.18 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.753 -0.658 . . . . 64.21 110.628 -175.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.79 HD12 ' HG ' ' A' ' 125' ' ' SER . 25.0 mm -110.1 126.25 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.176 0.512 . . . . 75.23 111.153 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -134.56 151.05 50.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.268 -1.012 . . . . 63.25 108.268 172.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 57.55 -95.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.553 0.533 . . . . 74.14 110.212 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -150.46 20.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.3 -0.409 . . . . 61.25 110.709 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.73 165.92 26.07 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.503 -0.479 . . . . 74.44 111.177 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.52 ' HA ' HD13 ' A' ' 32' ' ' ILE . 36.6 t -74.99 126.88 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.992 -0.549 . . . . 74.41 110.764 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 36' ' ' LYS . 24.1 pt -121.29 153.75 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.633 0.254 . . . . 74.31 110.371 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.1 126.87 40.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.24 0.543 . . . . 73.54 110.424 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.71 ' HG3' ' HD3' ' A' ' 31' ' ' LYS . 11.6 mm-40 -96.57 -50.6 4.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.722 -0.672 . . . . 72.22 110.808 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.43 149.14 33.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 73.24 111.22 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -137.36 83.66 2.01 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.211 -0.904 . . . . 63.24 108.803 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.4 147.62 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.797 -0.638 . . . . 73.13 110.578 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.949 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 4.5 t -99.2 156.65 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.014 -0.365 . . . . 64.43 110.014 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 3.6 pt20 -81.5 -21.49 38.62 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.017 0.437 . . . . 74.42 110.223 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -16.72 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 74.13 110.891 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 44' ' ' THR . 18.9 pt20 -91.15 -19.77 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.924 -0.31 . . . . 74.2 111.192 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -93.68 -12.31 29.59 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.878 -0.329 . . . . 75.04 111.425 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.86 23.0 0.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 119.932 -1.127 . . . . 70.14 113.738 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.55 155.82 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.618 -0.512 . . . . 73.33 109.618 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 1.6 m -52.97 -60.44 3.28 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.769 0.655 . . . . 74.32 112.769 -173.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.19 -88.98 0.11 Allowed Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.366 -0.921 . . . . 73.21 113.005 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 12.5 t70 -67.53 144.12 55.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.443 0.163 . . . . 72.01 111.031 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.541 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 8.0 t70 -56.65 -63.68 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.438 0.533 . . . . 74.02 112.438 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.64 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 86.0 t80 -100.52 -37.52 8.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.454 -0.499 . . . . 74.24 111.415 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.84 -15.34 62.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 73.33 110.108 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 17.9 m-20 -120.17 -1.92 10.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.526 -0.761 . . . . 72.53 110.85 171.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.1 m 60.84 32.17 20.08 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.452 0.47 . . . . 73.54 112.187 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 m -74.21 -15.26 61.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.625 0.602 . . . . 70.44 112.625 -174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -56.43 -22.92 35.1 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 110.244 -0.28 . . . . 72.52 110.244 175.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.69 -27.64 5.02 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.357 -0.383 . . . . 73.53 111.352 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.617 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -62.06 -27.57 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.433 . . . . 72.42 110.93 176.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.755 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 28.2 m-85 -72.17 -19.82 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.194 -0.457 . . . . 74.4 111.305 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.1 t70 -58.27 -31.55 67.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 63.31 110.678 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -86.82 -22.31 25.92 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.781 -0.367 . . . . 74.54 110.322 175.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 63' ' ' PHE . 22.3 m-85 -71.37 -30.6 66.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 74.35 111.571 -177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.593 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.0 m -63.75 -31.19 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 74.11 110.077 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.38 -41.53 24.47 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.317 -0.623 . . . . 63.13 109.317 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 9.7 t70 -50.56 -35.88 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.093 -0.958 . . . . 74.01 109.881 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 66' ' ' PHE . 75.9 t -65.0 -57.39 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.772 -0.649 . . . . 72.12 111.469 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -84.45 -20.71 31.31 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 119.548 -0.861 . . . . 72.41 112.748 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -70.61 -61.27 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.497 0.189 . . . . 71.1 111.264 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 7.9 ppt_? -80.53 -3.08 48.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.218 0.451 . . . . 74.35 112.218 -172.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 79' ' ' ASP . 68.4 p -101.83 -5.99 24.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.156 -0.312 . . . . 73.23 110.156 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 t70 67.99 -59.88 0.42 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.199 -0.91 . . . . 74.44 111.856 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -145.04 51.49 1.22 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 71.0 110.89 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt 59.76 33.82 21.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.858 -0.61 . . . . 70.53 112.125 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -75.16 -40.68 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 63.02 111.146 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.568 ' HB3' HG21 ' A' ' 74' ' ' THR . 28.1 t70 -95.16 141.87 28.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.41 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.01 161.21 35.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.099 -0.501 . . . . 55.21 109.731 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.03 166.44 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.741 0.305 . . . . 75.43 111.211 -175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.595 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.33 127.53 55.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.026 -1.102 . . . . 74.12 108.026 176.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 107' ' ' LEU . . . -130.09 141.23 50.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.9 0.381 . . . . 74.42 111.105 -174.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.628 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 23.4 t -130.37 128.1 63.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.087 -0.506 . . . . 53.44 111.419 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -139.02 131.4 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 75.41 109.798 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -86.68 100.84 12.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.895 -0.78 . . . . 74.41 108.895 169.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.513 ' HZ ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 m-30 -93.77 134.51 36.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.613 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 1.8 ttmp? -107.54 127.74 53.89 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 73.33 109.999 174.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.64 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 8.8 p90 -143.64 178.45 7.78 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.696 -0.684 . . . . 74.12 109.27 -176.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 75.2 p -119.71 121.2 38.69 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.768 -0.373 . . . . 74.43 110.211 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 50.2 t -102.22 131.36 48.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.217 -0.66 . . . . 73.43 109.217 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m -63.66 116.06 5.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.876 0.37 . . . . 64.52 110.47 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -77.29 123.56 26.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.226 -0.657 . . . . 64.0 109.226 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.47 112.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 63.44 110.599 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 4.03 65.35 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 73.34 112.681 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.77 -160.8 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.83 0.315 . . . . 74.1 110.783 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -159.7 35.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.972 -0.633 . . . . 65.31 112.69 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 2.0 p -81.43 136.52 35.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 74.45 111.706 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -105.86 116.04 31.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 75.23 110.084 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.6 116.74 22.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.211 -0.45 . . . . 70.45 109.877 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.8 ttt -131.35 135.41 47.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.398 . . . . 75.31 110.819 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.477 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.9 p30 -107.53 141.8 38.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.597 -0.52 . . . . 65.42 109.597 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -165.04 148.55 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.435 0.636 . . . . 75.32 111.775 176.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.597 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -75.3 132.47 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.719 -1.128 . . . . 74.24 111.409 -177.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 33.0 pt -113.69 136.92 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.722 175.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.548 ' HE2' HG23 ' A' ' 138' ' ' ILE . 30.0 m-85 -92.41 104.33 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.078 -0.51 . . . . 74.41 110.096 173.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.552 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 6.6 tt -90.67 102.15 14.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.239 -0.652 . . . . 74.54 109.239 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 142' ' ' GLN . 49.0 tp60 -103.89 113.45 26.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.309 -0.405 . . . . 74.42 110.682 176.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.498 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.5 mt -84.27 116.83 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.3 t -132.04 82.46 59.17 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 120.87 0.366 . . . . 75.04 110.34 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.924 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.9 Cg_exo -63.23 130.31 28.33 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.547 2.165 . . . . 73.53 110.921 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.72 -41.93 91.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 73.24 111.164 -174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.7 22.14 40.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.906 -0.664 . . . . 73.53 112.904 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -80.63 175.9 10.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.721 0.296 . . . . 75.13 110.932 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.456 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 4.8 m -61.89 94.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.902 -0.59 . . . . 74.21 110.816 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.5 mt -50.06 -43.97 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.572 0.582 . . . . 74.12 112.572 -174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -51.74 68.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.49 0.552 . . . . 74.44 112.49 -175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 16.1 pttp -85.93 -21.02 28.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.593 -0.443 . . . . 73.34 111.039 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.692 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 30.1 ttpt -75.26 -30.74 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.877 -0.416 . . . . 72.34 109.877 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -65.71 -27.96 68.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.214 -0.661 . . . . 71.43 109.214 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 32' ' ' ILE . 47.8 t -58.81 -41.74 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.667 . . . . 75.55 109.893 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.9 -34.59 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.424 -0.353 . . . . 74.2 111.066 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.69 -34.41 78.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.284 0.564 . . . . 73.2 109.949 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.7 m -71.57 -33.6 69.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 74.13 110.009 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.79 ' HG ' HD12 ' A' ' 32' ' ' ILE . 18.2 m -68.05 -36.12 79.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 72.4 111.327 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -54.72 -41.09 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 63.41 111.114 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.64 64.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.14 111.08 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.29 -44.59 24.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.351 -0.386 . . . . 61.1 111.591 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.8 tp -60.93 -35.47 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.325 -0.398 . . . . 61.33 111.112 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -26.5 45.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.865 0.364 . . . . 74.11 110.826 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.2 m -76.96 -41.32 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.531 -0.304 . . . . 74.53 110.615 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.608 ' HB3' HG12 ' A' ' 7' ' ' VAL . 10.8 p -64.83 -40.44 95.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 75.4 111.248 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.56 -27.37 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.393 . . . . 73.14 111.183 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.64 -82.52 1.06 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.57 -0.824 . . . . 64.21 111.617 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.832 HG21 HG21 ' A' ' 138' ' ' ILE . 11.5 m 63.78 -65.99 0.11 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.699 0.8 . . . . 64.24 112.548 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.91 -30.46 9.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.476 -0.392 . . . . 54.33 112.85 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -160.9 123.43 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 74.24 110.665 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.832 HG21 HG21 ' A' ' 135' ' ' THR . 1.6 pp -143.41 177.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.88 -0.6 . . . . 75.23 111.181 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.39 102.19 9.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 70.53 109.769 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.15 124.09 48.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.279 -0.419 . . . . 75.12 109.989 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.552 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 52.2 p90 -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.836 -0.431 . . . . 72.41 109.836 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 76.9 mt-30 -115.19 122.79 47.11 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.603 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.703 HG11 ' HB3' ' A' ' 149' ' ' MET . 21.6 m -106.23 130.72 57.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.933 -0.576 . . . . 71.11 110.464 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.5 p -91.77 -18.28 24.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 71.51 110.548 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.96 167.75 25.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.304 -0.862 . . . . 72.12 109.99 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.646 ' HA ' ' HG2' ' A' ' 149' ' ' MET . 0.0 OUTLIER -81.48 -21.83 38.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.687 -0.688 . . . . 75.33 112.03 -175.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.1 t -67.62 -40.2 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.795 0.331 . . . . 63.02 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -71.03 -36.07 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.813 0.301 . . . . 72.21 111.813 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.703 ' HB3' HG11 ' A' ' 143' ' ' VAL . 25.7 ptm -81.75 29.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 73.1 111.656 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.0 m -54.54 151.01 8.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.269 -0.423 . . . . 73.1 110.742 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.54 -24.77 57.95 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.343 0.497 . . . . 72.41 112.343 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -73.29 -34.29 65.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.029 0.381 . . . . 74.53 112.029 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -63.98 -33.77 76.49 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.438 -0.105 . . . . 64.41 111.006 -173.031 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 153' ' ' GLU . 63.7 mt -60.38 -37.48 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 73.54 110.655 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.89 -52.19 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.421 -0.585 . . . . 70.24 109.421 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -63.6 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 73.52 110.952 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -69.87 -40.32 75.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.028 -0.533 . . . . 73.31 111.19 -177.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 103' ' ' LYS . 41.5 tp -77.64 -10.86 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.041 0.448 . . . . 64.32 110.136 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.98 -41.88 3.19 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.825 -0.702 . . . . 54.22 113.347 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.46 -22.11 61.06 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.523 0.934 . . . . 74.54 113.523 -170.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.57 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -64.01 -39.5 94.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.84 -0.344 . . . . 74.43 111.649 -173.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.57 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.9 m-85 -125.03 11.74 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 73.02 111.074 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -114.55 -156.08 11.38 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.766 -0.731 . . . . 73.03 111.742 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.26 131.76 34.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 73.24 110.292 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 C--N 1.317 -0.827 0 CA-C-O 118.398 -0.81 . . . . 64.41 109.682 -179.045 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HA ' ' SD ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.242 -0.651 . . . . 75.13 109.242 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -74.95 66.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 64.51 110.803 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -126.13 -18.28 5.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 71.33 110.084 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.35 101.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.448 -0.882 . . . . 72.43 111.745 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' HG ' ' A' ' 125' ' ' SER . 96.2 t -89.77 129.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.692 -0.484 . . . . 72.22 109.692 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 36.9 mtt -99.42 169.46 9.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.264 -0.426 . . . . 75.42 109.854 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.12 120.06 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.964 0.411 . . . . 72.1 111.236 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.91 136.02 83.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.919 -0.582 . . . . 73.23 110.154 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.87 -26.37 80.5 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 62.1 111.311 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.26 -33.86 68.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.14 -0.936 . . . . 75.24 111.004 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.37 -46.98 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.208 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.03 -40.64 95.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.522 . . . . 73.11 110.926 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 m -59.72 -39.48 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 63.21 110.489 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.587 ' HB3' HD12 ' A' ' 28' ' ' ILE . 21.8 m -75.75 -19.01 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.484 -0.78 . . . . 63.3 111.221 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.8 m-85 -81.54 -43.09 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.958 0.409 . . . . 72.24 111.332 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -71.43 -14.33 62.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.838 0.31 . . . . 74.13 111.838 -174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.8 ptmm? -71.58 -18.24 62.25 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.847 -0.341 . . . . 73.22 111.211 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.2 pt? -123.87 -34.12 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.281 -0.568 . . . . 74.44 111.154 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -58.78 -53.99 52.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.996 0.427 . . . . 71.33 110.41 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -110.29 26.85 10.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.37 -0.604 . . . . 73.42 109.37 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.29 -124.51 2.77 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.733 -0.746 . . . . 74.41 113.009 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -99.36 15.87 24.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.976 0.362 . . . . 75.45 111.976 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 29.5 mtpp 52.15 -95.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.854 1.057 . . . . 72.43 113.854 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.629 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 3.3 mp0 -71.86 -6.53 42.37 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.08 0.4 . . . . 75.25 112.08 -170.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -92.7 121.81 34.48 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.336 -0.546 . . . . 75.32 110.78 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.66 ' N ' ' HB ' ' A' ' 44' ' ' THR . 65.0 mtt-85 54.85 116.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.255 -1.339 . . . . 61.51 112.261 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -98.14 178.68 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.32 -0.622 . . . . 71.22 109.32 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.657 HG13 ' HD1' ' A' ' 30' ' ' PHE . 5.0 tp -120.47 124.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.453 0.645 . . . . 73.1 111.882 -173.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -115.73 116.99 54.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.174 -0.921 . . . . 74.44 109.286 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.657 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.5 p90 -133.37 153.75 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 63.22 111.294 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HZ1' ' CD ' ' A' ' 40' ' ' GLU . 79.8 mttt -142.27 154.08 44.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.29 -0.414 . . . . 75.14 111.125 -172.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mm -78.16 128.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.18 -0.464 . . . . 73.41 109.879 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -132.79 116.76 16.94 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.284 -0.635 . . . . 73.05 109.284 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 71.94 -64.42 0.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.003 0.814 . . . . 74.3 111.039 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -151.98 -46.61 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.585 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.663 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -93.81 164.33 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.732 -175.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.54 HG23 ' HD2' ' A' ' 30' ' ' PHE . 7.2 p -90.29 134.59 28.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.009 -0.541 . . . . 73.15 110.412 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.663 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.7 pt -118.65 154.3 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 71.24 110.52 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.71 122.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.894 -0.41 . . . . 74.23 109.894 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 35.1 tt0 -95.75 -50.83 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.717 -0.393 . . . . 63.42 110.4 178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.55 142.49 29.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 73.22 111.662 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.77 74.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.944 -0.761 . . . . 71.33 108.944 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.75 150.37 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.468 -0.787 . . . . 74.44 111.299 -172.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.66 ' HB ' ' N ' ' A' ' 26' ' ' ARG . 5.8 t -111.54 163.07 14.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.044 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 pt20 -65.22 -23.71 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.187 0.517 . . . . 60.05 110.077 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 7.9 t70 -57.59 -60.84 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.855 . . . . 75.22 110.488 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.595 ' H ' HG22 ' A' ' 44' ' ' THR . 18.9 pt20 -70.23 -21.68 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 70.42 110.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 45.1 tp -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.252 -0.886 . . . . 72.43 110.848 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.38 -11.26 3.0 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.345 -0.931 . . . . 71.01 112.53 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.701 HG21 ' H ' ' A' ' 51' ' ' THR . 3.0 mm -85.81 179.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.171 -0.677 . . . . 73.44 109.171 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.701 ' H ' HG21 ' A' ' 50' ' ' ILE . 17.1 m -87.33 -32.9 19.4 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.18 0.808 . . . . 75.13 113.18 -168.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.72 -104.76 0.2 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 118.953 -1.594 . . . . 73.44 114.853 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 56' ' ' ASP . 4.7 m-20 -73.49 140.14 46.21 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.231 0.456 . . . . 71.4 112.231 -170.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.94 -64.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.736 -0.665 . . . . 72.33 112.588 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.535 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 13.2 t80 -99.29 -42.91 6.8 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.939 -0.704 . . . . 74.42 110.891 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.1 m-20 -52.25 -43.43 64.35 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.489 0.493 . . . . 74.13 111.415 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -114.62 14.45 17.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.051 0.453 . . . . 74.05 110.467 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m 60.79 24.18 14.1 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.015 0.746 . . . . 64.32 113.015 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.6 m -80.42 -0.02 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.292 . . . . 74.2 111.317 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.26 54.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.084 -0.507 . . . . 75.02 110.853 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.93 -23.29 1.89 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.876 -0.602 . . . . 72.13 111.431 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.661 ' HB1' HG13 ' A' ' 50' ' ' ILE . . . -57.78 -35.82 71.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 52.01 110.77 174.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -76.47 -23.34 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 72.43 110.674 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -33.4 74.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 60.5 110.355 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -86.82 -23.92 25.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 75.43 110.86 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.519 ' O ' HG21 ' A' ' 70' ' ' VAL . 2.4 m-85 -62.9 -44.78 95.16 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.425 -0.352 . . . . 72.13 111.525 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.775 HG11 ' HG3' ' A' ' 149' ' ' MET . 30.5 m -57.3 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 73.31 111.682 -175.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.96 -38.62 20.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.442 -0.345 . . . . 74.23 111.367 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 3.5 t70 -65.83 -34.07 77.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.362 -0.607 . . . . 55.53 109.362 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 66' ' ' PHE . 76.1 t -57.48 -41.48 78.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.744 -0.662 . . . . 72.22 110.179 174.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.64 -50.71 70.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.429 0.633 . . . . 73.33 109.914 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -54.29 -37.23 64.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.601 -1.181 . . . . 72.43 111.903 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 31.7 mmt180 -85.55 -45.44 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.311 0.486 . . . . 75.43 112.311 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 79' ' ' ASP . 79.1 p -84.25 -13.55 52.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.877 0.325 . . . . 74.24 111.877 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.56 -72.06 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.71 0.631 . . . . 73.44 111.012 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -134.88 56.37 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.959 -0.386 . . . . 74.23 109.959 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER 41.94 42.03 2.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.217 -0.901 . . . . 74.44 112.851 177.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -93.84 12.24 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.35 0.595 . . . . 74.43 110.195 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.601 ' HB3' HG21 ' A' ' 74' ' ' THR . 23.7 t70 -125.97 142.44 51.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 74.12 110.11 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 p -134.88 149.92 50.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.043 -0.526 . . . . 74.21 109.865 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 17.9 ptt180 -161.92 167.87 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 73.24 110.942 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -116.12 128.84 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 75.24 110.075 -176.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.25 146.99 45.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.716 0.293 . . . . 72.34 110.707 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.5 t -133.19 130.27 57.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.093 0.473 . . . . 75.51 110.824 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -133.6 145.26 49.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.074 -0.713 . . . . 72.32 109.074 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.4 t70 -90.9 97.6 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.385 -1.339 . . . . 73.23 107.385 169.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.64 108.31 19.6 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.712 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.629 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -111.39 134.5 52.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 74.55 110.573 178.044 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.535 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.9 p90 -145.73 -172.83 3.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.095 -0.957 . . . . 74.43 109.268 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.708 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 18.5 p -126.26 136.55 52.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.017 0.436 . . . . 73.31 111.097 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 98' ' ' THR . 80.2 m -116.51 132.48 56.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 72.11 110.526 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.7 m -72.03 103.89 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 65.42 109.81 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.627 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 59.8 ttt180 -83.7 135.28 34.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.912 -0.585 . . . . 75.45 110.598 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 119.45 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 75.34 110.463 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.59 2.63 67.34 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.593 -0.73 . . . . 72.05 111.46 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 93' ' ' ARG . . . -147.95 -159.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.183 -0.302 . . . . 73.43 110.183 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.68 -155.49 10.38 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.46 -0.656 . . . . 75.4 111.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.708 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 1.6 p -76.56 117.7 18.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.124 0.462 . . . . 73.41 110.561 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 90' ' ' THR . 12.9 m -101.97 141.27 35.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.046 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -74.97 130.43 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.154 -0.313 . . . . 72.42 110.154 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.1 mtt -135.16 111.13 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.185 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.4 p-10 -104.23 147.87 26.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.632 -0.713 . . . . 72.24 109.747 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 1.024 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.47 115.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 71.33 111.363 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 9.0 tt -65.49 121.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 74.22 109.981 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.522 HG21 HD23 ' A' ' 158' ' ' LEU . 23.0 pt -121.42 147.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.05 0.453 . . . . 73.44 111.618 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.55 ' HZ ' HD23 ' A' ' 133' ' ' LEU . 48.7 m-85 -94.18 102.79 14.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.623 -0.717 . . . . 63.23 110.452 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.587 ' HG ' ' HE1' ' A' ' 141' ' ' PHE . 8.9 tt -91.87 102.25 14.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.871 -0.604 . . . . 64.24 109.397 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 110' ' ' CYS . 50.0 tp60 -96.92 112.1 24.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.874 -0.603 . . . . 72.11 110.55 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.46 105.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.108 -0.701 . . . . 75.11 109.108 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.414 ' HB2' HE21 ' A' ' 108' ' ' GLN . 48.5 t -146.36 90.61 5.61 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.998 -0.546 . . . . 72.04 110.084 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.892 ' HB2' ' HB1' ' A' ' 114' ' ' ALA . 20.1 Cg_exo -67.24 157.66 60.69 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.582 2.188 . . . . 73.1 111.947 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.42 -56.05 4.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.921 -0.399 . . . . 74.11 109.921 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.93 53.33 4.72 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 65.04 111.536 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.892 ' HB1' ' HB2' ' A' ' 111' ' ' PRO . . . -113.28 177.23 4.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.705 0.288 . . . . 74.3 110.882 -176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -66.33 89.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.756 -0.656 . . . . 74.34 110.137 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.557 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 72.6 mt -52.82 -31.31 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 O-C-N 123.742 0.651 . . . . 74.33 112.417 -171.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -55.31 -65.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.729 0.299 . . . . 73.45 111.196 -178.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -79.5 -21.28 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 75.43 110.833 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.557 ' HD3' ' HA ' ' A' ' 116' ' ' ILE . 29.7 tttp -65.38 -38.99 91.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.343 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -76.28 -22.06 55.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 71.42 110.058 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 117' ' ' LYS . 99.2 t -63.61 -43.08 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.453 -0.573 . . . . 64.32 109.453 175.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.495 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 31.1 m-85 -67.15 -26.61 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 73.51 111.802 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.11 75.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.387 0.613 . . . . 71.25 109.758 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 m -77.64 -31.38 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 65.44 109.823 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.608 ' HG ' HG12 ' A' ' 5' ' ' VAL . 12.9 m -67.59 -34.17 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.107 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.499 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -60.35 -39.48 87.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.018 0.437 . . . . 65.1 110.589 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.73 -38.11 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 75.35 110.321 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.71 -51.11 53.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 71.35 111.105 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.0 tp -61.14 -33.0 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.089 0.471 . . . . 74.41 110.178 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' A' ' 130' ' ' LYS . 19.5 ttpt -65.39 -46.47 79.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 75.4 110.204 176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.7 m -66.93 -38.26 85.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.654 . . . . 71.32 111.212 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 p -69.0 -31.46 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.866 0.321 . . . . 72.53 111.866 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.55 HD23 ' HZ ' ' A' ' 106' ' ' PHE . 11.0 mp -99.21 -28.08 13.51 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.391 -0.524 . . . . 75.21 112.034 -177.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 47.04 50.1 16.54 Favored Glycine 0 CA--C 1.521 0.46 0 O-C-N 123.388 0.43 . . . . 52.42 112.851 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.552 HG22 HG22 ' A' ' 138' ' ' ILE . 3.5 m -66.08 -46.18 78.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.388 . . . . 71.42 111.599 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.27 7.39 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.058 -0.592 . . . . 75.13 112.598 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -153.44 114.93 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.917 0.389 . . . . 72.42 110.577 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.552 HG22 HG22 ' A' ' 135' ' ' THR . 1.1 pp -150.69 159.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 75.14 110.138 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.478 ' HB2' HG23 ' A' ' 105' ' ' ILE . 3.3 mm? -97.28 98.94 10.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.495 -0.928 . . . . 74.01 108.495 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -104.15 119.34 38.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.445 -0.798 . . . . 72.2 109.184 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.587 ' HE1' ' HG ' ' A' ' 107' ' ' LEU . 9.4 p90 -132.38 143.78 50.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.031 -0.531 . . . . 74.02 110.856 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -97.65 111.15 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 71.45 109.673 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.503 HG13 ' HD1' ' A' ' 141' ' ' PHE . 35.7 m -104.87 150.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.756 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.882 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.6 p -140.43 -46.0 0.41 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.003 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.39 154.31 26.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.057 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 12.7 pt-20 -53.23 -39.46 63.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 64.42 111.291 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -64.01 -38.98 93.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.562 -0.29 . . . . 64.42 110.857 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.409 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 46.6 mt-10 -65.41 -34.24 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.554 . . . . 72.33 110.895 -177.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.775 ' HG3' HG11 ' A' ' 67' ' ' VAL . 23.9 ptp -95.96 12.72 29.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 74.5 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.2 m -92.54 164.65 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 72.24 111.084 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -60.85 -25.59 66.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 73.23 111.911 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -65.96 -58.96 4.34 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.625 0.231 . . . . 71.52 111.625 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.494 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 4.5 mm-40 -64.38 -38.54 91.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.755 0.28 . . . . 73.35 111.755 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 mt -59.95 -41.39 91.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.795 0.331 . . . . 74.44 110.566 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.23 -37.67 72.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.219 -0.446 . . . . 74.42 109.894 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.02 -49.15 77.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.667 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.504 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 10.6 mptt -66.33 -48.53 69.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.674 0.75 . . . . 73.42 110.73 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.522 HD23 HG21 ' A' ' 105' ' ' ILE . 38.5 mt -67.51 -15.35 63.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.236 -0.893 . . . . 72.42 111.694 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -90.99 -39.27 5.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.477 -0.868 . . . . 53.4 112.323 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 13.7 pt-20 -69.56 -32.74 71.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.902 0.351 . . . . 72.42 111.3 -177.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.768 ' HG3' ' H ' ' A' ' 162' ' ' TYR . 16.1 pttp -48.1 -63.79 0.97 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.451 0.469 . . . . 74.3 112.242 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.768 ' H ' ' HG3' ' A' ' 161' ' ' LYS . 48.6 m-85 -122.9 24.2 9.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.115 0.484 . . . . 75.31 110.931 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -108.66 -78.17 1.05 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.747 -0.74 . . . . 61.14 111.618 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -158.61 127.06 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.953 -0.388 . . . . 62.44 109.953 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 67.9 m80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.569 -0.729 . . . . 74.11 110.583 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' CB ' ' HB3' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.449 0.166 . . . . 64.34 111.033 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -81.44 36.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.499 0.666 . . . . 72.44 109.951 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 1' ' ' MET . 7.1 m -90.05 -16.73 29.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.362 -0.835 . . . . 63.42 111.215 -173.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 92.28 0.76 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.274 -0.965 . . . . 63.34 111.921 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.75 128.45 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.79 0.328 . . . . 73.43 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.5 ptm -107.08 153.98 21.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.301 -0.409 . . . . 73.25 110.163 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.694 HG13 ' HB ' ' A' ' 37' ' ' VAL . 31.5 m -117.0 143.81 26.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.607 -0.269 . . . . 72.45 110.363 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.604 ' O ' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.82 151.61 91.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.469 -0.567 . . . . 75.13 109.469 178.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.14 -34.53 87.98 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.03 2.486 . . . . 55.14 114.105 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.6 -10.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.878 -0.329 . . . . 72.31 111.788 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.604 HG21 ' O ' ' A' ' 8' ' ' ASP . 32.7 m -58.55 -49.55 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.897 -0.721 . . . . 73.11 109.411 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.87 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 44.3 mt-30 -71.94 -35.54 69.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.563 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 10.4 m -59.71 -31.97 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.055 -0.521 . . . . 75.25 110.288 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 68.8 m -79.21 -32.44 44.02 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.342 -0.39 . . . . 73.2 111.482 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.87 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 51.9 m-85 -62.2 -40.49 96.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.518 0.675 . . . . 73.13 109.962 175.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.42 -15.99 53.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.449 -0.796 . . . . 73.53 110.385 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 13' ' ' THR . 29.6 ttmt -73.91 -28.26 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 75.43 110.772 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 3.6 pp -93.21 -31.35 14.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.909 0.385 . . . . 72.32 110.614 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 m -76.77 -10.44 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 71.3 112.124 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.72 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.26 0.467 . . . . 64.15 112.26 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.26 -84.57 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.875 -1.155 . . . . 54.41 113.685 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.9 tpt180 -94.2 -18.97 21.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.789 0.292 . . . . 72.54 111.789 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.1 mtpm? 74.1 -44.68 0.57 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.913 0.485 . . . . 73.22 110.101 -173.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.19 18.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 74.43 110.643 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.631 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -75.78 -166.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.669 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.677 ' HD3' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -40.31 125.17 2.04 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.71 0.631 . . . . 75.53 111.642 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.54 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 80.6 m-85 -97.0 163.47 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.0 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.583 HG13 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -107.04 113.95 44.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.788 -0.642 . . . . 72.33 111.507 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mm -109.56 122.38 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.282 -0.872 . . . . 74.13 109.062 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' HG13 ' A' ' 28' ' ' ILE . 3.7 p90 -137.63 142.55 41.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.381 0.61 . . . . 75.42 112.156 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HG3' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mptm? -127.27 178.33 6.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.566 -0.743 . . . . 73.22 110.52 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.423 HD11 ' OG ' ' A' ' 125' ' ' SER . 13.3 mm -92.56 123.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.915 -0.584 . . . . 72.34 110.539 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 38' ' ' ILE . 17.1 t70 -108.5 96.26 6.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.86 -0.793 . . . . 73.44 108.86 173.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 68.05 -69.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.395 -0.821 . . . . 74.2 111.351 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.47 -14.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.937 0.347 . . . . 74.44 111.937 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -116.81 154.35 30.88 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.986 -0.686 . . . . 74.23 111.517 -177.444 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.694 ' HB ' HG13 ' A' ' 7' ' ' VAL . 40.9 t -90.05 121.95 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 70.33 109.965 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.675 HD12 ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -119.77 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.853 0.359 . . . . 72.55 110.739 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.22 121.1 14.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 72.41 110.478 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -91.29 -55.76 3.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.052 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.21 141.08 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 64.45 111.194 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.88 81.09 1.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.635 -0.711 . . . . 75.5 109.117 172.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -134.63 141.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.877 -0.601 . . . . 74.31 110.79 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.631 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 3.6 t -100.75 156.78 17.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.363 -0.38 . . . . 74.03 110.029 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.734 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 10.8 pt20 -68.96 -19.3 64.16 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 120.882 0.372 . . . . 74.12 110.312 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.12 -53.57 56.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.796 -0.638 . . . . 63.24 110.346 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.614 ' H ' HG21 ' A' ' 44' ' ' THR . 4.2 pt20 -80.31 -17.48 51.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.386 -0.37 . . . . 75.42 110.653 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.734 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 55.6 tp -65.63 -15.65 62.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.8 -0.636 . . . . 75.25 110.352 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.88 36.5 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.837 -0.697 . . . . 74.53 112.023 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.609 HG22 ' H ' ' A' ' 51' ' ' THR . 16.1 mm -92.35 171.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.087 -0.709 . . . . 72.44 109.087 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.609 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.1 m -58.25 -59.5 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.716 0.265 . . . . 74.3 111.716 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.23 -91.71 0.13 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 63.14 112.127 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.667 ' HB2' ' H ' ' A' ' 57' ' ' ASP . 1.7 m-20 -65.32 133.89 52.39 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.685 -0.487 . . . . 74.55 109.685 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.18 -64.53 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.118 0.785 . . . . 75.12 113.118 -172.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.973 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 12.1 t80 -109.32 -17.12 13.89 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.543 -0.723 . . . . 71.21 110.528 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.19 -55.66 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.1 -0.5 . . . . 74.21 110.678 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.667 ' H ' ' HB2' ' A' ' 53' ' ' ASP . 37.0 t0 -94.93 7.2 46.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.355 0.598 . . . . 75.11 109.627 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.0 m 61.72 83.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 73.42 112.186 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -125.85 2.49 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.695 -0.684 . . . . 74.31 110.268 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -54.94 -24.95 26.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.856 -0.611 . . . . 64.01 111.209 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.09 -27.2 63.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.213 -0.449 . . . . 75.45 111.275 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.52 81.23 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.069 0.461 . . . . 60.14 110.008 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.67 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 99.5 m-85 -79.8 -22.37 43.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.816 -0.629 . . . . 73.43 110.351 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -38.94 92.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.709 -0.678 . . . . 75.44 110.156 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.04 -22.38 25.51 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.866 0.365 . . . . 75.52 110.384 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.67 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 73.5 t80 -58.8 -49.17 78.69 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 123.181 0.592 . . . . 73.5 111.29 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.8 m -60.32 -24.68 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 74.42 110.963 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -77.54 -49.85 13.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.091 -0.504 . . . . 63.34 111.0 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.546 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 24.8 t70 -57.08 -42.85 81.46 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.304 -0.628 . . . . 75.13 109.304 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG11 HH22 ' A' ' 81' ' ' ARG . 73.5 t -57.68 -51.63 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.468 -0.787 . . . . 75.04 110.832 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -20.23 61.41 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.939 -0.705 . . . . 75.03 111.019 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 m -75.31 -49.77 18.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.538 -0.301 . . . . 74.35 110.868 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 13.0 ptm180 -73.74 -31.59 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.986 0.422 . . . . 72.33 111.201 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -76.81 -27.56 55.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 74.22 109.858 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 64.49 -77.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.263 -0.881 . . . . 70.03 111.028 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -105.05 -76.63 0.6 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.903 -0.406 . . . . 73.42 109.903 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -165.03 31.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.387 0.613 . . . . 73.23 109.707 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -81.66 -49.15 10.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.457 -0.792 . . . . 72.51 111.38 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -77.4 140.95 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.03 0.443 . . . . 73.41 110.525 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 p -156.05 145.29 20.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.946 -0.57 . . . . 71.53 109.806 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.527 HH22 HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -162.99 168.33 21.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.994 0.426 . . . . 73.52 111.806 -176.338 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.411 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 36.6 m-85 -114.1 141.87 46.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 73.43 110.466 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -149.4 157.55 43.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.457 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.522 HG23 ' HE1' ' A' ' 15' ' ' PHE . 84.4 t -136.91 131.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.508 -0.315 . . . . 72.4 110.454 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.79 147.06 49.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.18 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.769 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 23.0 t70 -95.64 100.48 12.21 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.869 -0.789 . . . . 64.01 108.869 171.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.513 ' HE1' ' CZ ' ' A' ' 63' ' ' PHE . 32.9 m-85 -91.29 145.94 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.208 0.528 . . . . 74.55 112.285 -175.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.755 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 36.7 ttmt -128.38 116.62 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.388 -0.823 . . . . 75.21 109.903 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.973 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.6 p90 -126.54 177.42 6.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.893 0.377 . . . . 75.42 110.874 -173.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -127.88 122.67 33.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 75.21 109.932 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 50.2 t -109.19 141.51 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.352 -0.386 . . . . 75.23 110.513 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 p -72.83 117.11 14.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 74.33 109.841 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.681 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.5 tmt_? -94.01 121.17 35.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.298 -0.631 . . . . 71.43 109.298 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.08 113.53 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.158 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.57 7.87 58.79 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.803 -0.713 . . . . 51.22 112.078 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 93' ' ' ARG . . . -147.57 -160.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.972 -0.381 . . . . 75.12 109.972 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.95 -153.44 25.37 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.625 -0.798 . . . . 75.12 112.145 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 p -81.34 121.03 25.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.144 0.497 . . . . 61.13 111.01 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -95.19 111.52 23.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.609 . . . . 42.1 110.992 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.755 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 6.3 tmmm? -85.79 116.66 24.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.006 -0.543 . . . . 75.52 109.797 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.8 mtt -135.9 156.82 48.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.153 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.5 p30 -127.77 153.0 47.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.462 -0.335 . . . . 73.4 110.321 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.773 ' HA ' ' HZ3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -165.58 122.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.91 0.386 . . . . 70.05 111.484 176.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.769 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 14.7 tt -69.82 132.43 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.672 -0.694 . . . . 62.34 110.064 174.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 139' ' ' LEU . 32.4 pt -137.22 158.63 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 75.42 112.044 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.669 ' HB3' ' HG2' ' A' ' 140' ' ' GLN . 2.8 m-85 -86.72 132.31 33.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.153 -0.931 . . . . 74.25 111.4 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 83' ' ' ALA . 7.5 tt -112.56 104.24 12.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.513 -0.767 . . . . 71.11 109.751 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.504 HE21 ' HB3' ' A' ' 110' ' ' CYS . 45.6 tt0 -102.31 104.69 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 74.04 111.105 176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.7 mt -91.21 93.08 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.91 -0.774 . . . . 75.52 108.91 171.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.504 ' HB3' HE21 ' A' ' 108' ' ' GLN . 51.6 t -133.53 97.21 16.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.32 -0.4 . . . . 75.43 110.973 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.752 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 40.6 Cg_exo -60.93 120.27 7.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.024 2.483 . . . . 73.4 111.424 173.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.26 -25.58 60.75 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.638 -0.425 . . . . 61.2 110.799 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.11 10.9 66.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 54.44 112.264 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.752 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -79.18 176.78 9.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 71.31 110.859 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.2 m -57.45 107.4 0.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 65.14 110.959 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 86.3 mt -56.85 -43.21 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.276 0.843 . . . . 72.34 113.276 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.77 -51.24 70.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 72.25 111.385 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -85.21 -21.2 29.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.476 -0.329 . . . . 64.42 110.858 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -64.52 -39.79 94.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.466 -0.568 . . . . 72.24 109.466 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.447 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 53.6 mtt -59.79 -33.38 71.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.507 -0.77 . . . . 72.23 110.546 177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.56 -48.94 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 75.12 110.117 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 75.11 111.067 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.23 89.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 70.54 110.697 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 m -69.72 -22.66 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 54.5 110.571 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.423 ' OG ' HD11 ' A' ' 32' ' ' ILE . 21.2 m -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.726 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.59 86.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.092 0.472 . . . . 64.42 110.616 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.44 -39.68 77.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 74.51 110.538 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.92 -54.79 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 61.45 111.653 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.439 ' O ' HD11 ' A' ' 133' ' ' LEU . 5.4 tp -60.29 -31.75 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.452 -0.34 . . . . 64.22 110.718 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 24.8 ttpt -71.86 -43.57 65.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.978 -0.379 . . . . 74.4 109.978 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.7 m -58.75 -39.08 79.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 65.52 111.421 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 p -69.29 -38.57 78.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.398 -0.365 . . . . 73.3 111.609 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 15' ' ' PHE . 11.2 mp -88.67 -26.61 21.76 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.67 -0.412 . . . . 74.02 111.986 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.429 ' C ' ' HG1' ' A' ' 135' ' ' THR . . . 72.46 -90.5 0.54 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.794 -0.717 . . . . 73.21 111.388 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.429 ' HG1' ' C ' ' A' ' 134' ' ' GLY . 43.7 p 45.53 -102.11 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.76 0.824 . . . . 61.54 112.718 178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.55 -24.37 32.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.105 -0.569 . . . . 55.32 112.884 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.579 ' H ' ' HD3' ' A' ' 137' ' ' LYS . 0.2 OUTLIER -101.67 32.18 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.309 0.576 . . . . 74.33 110.638 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.4 pp -109.97 161.87 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.425 -0.807 . . . . 64.22 110.074 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.648 HD23 ' HE3' ' A' ' 161' ' ' LYS . 3.0 mm? -101.09 138.66 37.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.321 -0.622 . . . . 73.01 109.321 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.669 ' HG2' ' HB3' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -132.33 112.52 12.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 75.54 110.031 -175.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.453 ' HZ ' HD11 ' A' ' 107' ' ' LEU . 37.4 p90 -110.9 131.62 54.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 74.32 110.657 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -102.75 115.03 29.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.621 -0.718 . . . . 74.44 109.874 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.421 HG12 ' HD2' ' A' ' 141' ' ' PHE . 33.7 m -119.94 149.36 22.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.203 -0.453 . . . . 72.13 111.537 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.522 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 17.5 p -138.15 2.95 2.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.781 -0.645 . . . . 71.51 110.802 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.97 151.03 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 74.44 110.476 -175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.909 ' HA ' ' HE2' ' A' ' 149' ' ' MET . 7.1 pt-20 -63.13 -41.06 99.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.258 0.466 . . . . 71.41 112.258 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.5 t -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.224 0.535 . . . . 74.43 110.357 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.3 2.64 20.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.838 -0.619 . . . . 74.25 111.889 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.909 ' HE2' ' HA ' ' A' ' 146' ' ' GLU . 26.6 ptt? -125.89 14.35 7.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.272 0.558 . . . . 75.04 110.14 175.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.6 m -75.91 169.7 17.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 75.2 110.405 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -57.0 -26.66 60.61 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.256 0.465 . . . . 75.35 112.256 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -55.25 -48.66 73.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.767 0.318 . . . . 73.33 110.838 172.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -59.1 -46.24 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.815 -0.63 . . . . 71.31 111.708 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 99.1 mt -58.31 -45.93 87.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 72.21 110.595 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 155' ' ' LEU . 4.6 tt -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.628 -0.508 . . . . 75.52 109.628 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -55.77 -59.64 4.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.779 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.731 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 3.8 mptp? -74.81 -22.74 58.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.585 0.707 . . . . 74.02 110.783 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.4 mp -70.51 -30.21 66.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.46 -0.791 . . . . 74.14 110.639 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.34 -52.39 2.03 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.678 -0.772 . . . . 64.44 112.937 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.731 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 11.0 pt-20 -52.78 -41.92 64.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.888 1.07 . . . . 75.2 113.888 -168.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.648 ' HE3' HD23 ' A' ' 139' ' ' LEU . 0.8 OUTLIER -66.36 -18.8 65.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.627 0.603 . . . . 73.31 112.627 -172.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -122.49 -48.31 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.647 0.61 . . . . 71.24 112.647 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -96.11 -121.08 3.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.467 -0.873 . . . . 73.54 113.788 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.28 139.77 36.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.788 0.328 . . . . 71.21 111.031 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 160' ' ' GLU . 9.3 p80 . . . . . 0 C--O 1.245 0.866 0 CA-C-N 115.986 -0.552 . . . . 73.34 110.673 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.687 ' H1 ' ' HG2' ' A' ' 120' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 108.685 -0.857 . . . . 74.14 108.685 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -87.45 31.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.432 -0.804 . . . . 52.43 111.861 -170.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.494 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 14.2 m -99.26 -5.32 30.05 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.822 0.344 . . . . 73.14 110.296 177.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.67 89.52 1.43 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.202 -0.999 . . . . 74.23 112.993 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.01 123.97 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.784 . . . . 73.43 108.882 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.417 ' HG3' ' CB ' ' A' ' 36' ' ' LYS . 23.8 ptt? -101.36 171.08 7.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.9 0.381 . . . . 62.43 110.932 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 132' ' ' SER . 7.7 p -115.8 129.19 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.275 -0.421 . . . . 71.32 111.154 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 10' ' ' ASP . 19.9 t70 -65.09 137.35 97.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.35 110.498 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.38 -36.39 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.146 2.564 . . . . 75.12 113.568 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 4.0 m-20 -68.79 -17.7 64.07 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.745 0.276 . . . . 74.31 111.745 -174.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG21 HG12 ' A' ' 37' ' ' VAL . 91.0 t -58.95 -50.47 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 75.04 109.722 174.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.97 -35.62 80.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 74.3 110.689 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -64.07 -26.24 68.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.304 0.573 . . . . 63.22 110.77 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' ' 28' ' ' ILE . 50.9 m -84.38 -28.04 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 71.31 110.891 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.675 ' HE1' HG13 ' A' ' 84' ' ' VAL . 24.5 m-85 -71.13 -28.15 64.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.49 -0.323 . . . . 74.23 110.508 174.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.2 mm100 -57.85 -54.21 49.49 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.42 112.229 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -65.05 -6.6 9.18 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 73.42 111.65 -175.263 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 86' ' ' ASP . 9.6 tt -97.52 -56.36 2.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.565 -0.532 . . . . 52.45 109.565 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -71.06 -44.26 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.887 -0.597 . . . . 73.1 112.065 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 8.0 pt-20 -91.83 3.25 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 74.15 109.507 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.25 -117.17 1.82 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.352 -0.84 . . . . 61.25 111.108 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -111.26 -70.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.901 -0.32 . . . . 72.44 110.854 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.711 ' HG3' ' H ' ' A' ' 24' ' ' GLU . 17.8 pttp 175.83 -73.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.647 -0.706 . . . . 75.25 110.273 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 22.4 mt-10 -81.49 23.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 74.0 111.199 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -71.7 -169.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.977 -0.556 . . . . 75.33 109.985 178.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 3.1 ptm180 -58.04 119.35 6.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.083 -0.34 . . . . 72.41 110.083 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -99.25 178.23 4.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.896 -0.721 . . . . 74.2 111.161 -176.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.756 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -111.32 132.25 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.607 -0.724 . . . . 72.31 112.203 -164.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 119.96 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.482 -0.933 . . . . 74.32 108.482 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.756 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.1 p90 -138.07 147.23 43.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.493 0.663 . . . . 75.21 112.54 -174.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HE3' ' HD3' ' A' ' 81' ' ' ARG . 4.8 mptt -133.55 176.82 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.076 -0.965 . . . . 74.51 109.865 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG12 ' CE1' ' A' ' 122' ' ' TYR . 28.1 mm -88.71 131.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.307 0.575 . . . . 74.35 111.424 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.473 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.0 t70 -125.42 115.43 20.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.25 -0.886 . . . . 74.45 108.961 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 67.5 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.458 0.474 . . . . 72.21 110.972 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -150.5 18.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.465 0.65 . . . . 71.44 110.287 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -142.97 155.43 44.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.748 -0.464 . . . . 75.42 109.748 174.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG23 ' HD2' ' A' ' 30' ' ' PHE . 8.1 p -85.3 134.74 26.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.309 -0.405 . . . . 74.4 110.632 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.0 pt -121.08 160.41 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 54.41 111.148 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 28' ' ' ILE . 95.6 t -84.4 120.85 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.922 -0.581 . . . . 71.34 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -91.62 -51.07 5.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.907 -0.588 . . . . 75.14 110.158 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.33 145.92 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 55.33 111.858 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -129.17 92.2 3.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.439 -0.8 . . . . 63.14 108.948 170.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 47' ' ' GLN . 7.6 p -146.85 141.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 75.0 110.742 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.533 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 5.1 t -99.99 159.76 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.569 . . . . 75.45 109.465 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.603 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 27.9 pt20 -67.88 -23.02 65.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.479 -0.489 . . . . 71.54 110.23 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.47 -46.04 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.188 -0.914 . . . . 74.22 111.396 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' HG23 ' A' ' 43' ' ' VAL . 3.1 pt20 -91.78 -11.61 36.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 72.22 112.543 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.603 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 3.8 pp -84.99 -14.51 47.24 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.128 -0.629 . . . . 72.05 110.874 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.87 -17.14 2.8 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.296 -0.954 . . . . 74.22 113.097 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.5 HG23 ' H ' ' A' ' 51' ' ' THR . 24.1 mm -86.45 167.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.222 -0.659 . . . . 73.34 109.222 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.5 ' H ' HG23 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -63.92 -43.24 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.946 0.35 . . . . 74.31 111.946 -177.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.82 -65.17 0.6 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.017 -1.087 . . . . 74.03 113.955 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.983 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 8.3 t70 -65.97 130.67 44.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 122.304 0.241 . . . . 62.21 110.728 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.15 -65.73 0.65 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.434 0.901 . . . . 74.42 113.434 -167.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.591 ' CB ' ' HA ' ' A' ' 89' ' ' PHE . 2.0 t80 -122.28 -16.96 7.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.176 -0.609 . . . . 74.45 112.334 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.55 -34.02 41.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.836 -0.802 . . . . 74.34 108.836 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.983 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 1.2 t70 -93.99 -25.55 17.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.938 -1.028 . . . . 63.51 109.829 170.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t 77.98 52.8 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.708 -1.133 . . . . 65.04 111.248 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -76.93 2.24 15.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.721 0.772 . . . . 70.35 109.027 168.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 3.2 tmmm? -44.89 -28.48 0.66 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.119 -1.4 . . . . 74.34 111.825 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.15 -23.9 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.143 0.423 . . . . 63.5 112.143 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.009 0.433 . . . . 75.1 111.543 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -61.7 -22.9 65.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 74.11 111.611 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.49 -34.9 78.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 72.45 111.032 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.95 -31.74 19.25 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.524 -0.47 . . . . 75.43 111.159 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.457 ' O ' HG21 ' A' ' 70' ' ' VAL . 24.5 m-85 -57.83 -44.57 86.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.87 0.322 . . . . 73.44 111.87 -177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.665 HG12 ' HG3' ' A' ' 149' ' ' MET . 28.2 m -58.44 -30.33 40.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.438 . . . . 72.44 111.568 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -81.57 -45.88 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.153 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 6.7 t0 -55.24 -46.18 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.935 -0.765 . . . . 72.34 108.935 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 66' ' ' PHE . 77.3 t -56.74 -46.38 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.268 -0.878 . . . . 74.21 111.503 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -78.68 -29.89 45.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.01 -1.076 . . . . 73.41 110.983 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -70.12 -38.32 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 73.23 111.619 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -84.0 -13.52 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.882 -178.345 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.4 ' N ' ' HD3' ' A' ' 73' ' ' ARG . 88.2 m -83.77 -37.35 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.034 -0.266 . . . . 72.02 111.118 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 68.5 -73.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.661 0.615 . . . . 64.43 112.661 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -84.76 -4.78 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.822 0.305 . . . . 74.32 111.822 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.9 mt 61.97 21.19 12.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.571 0.544 . . . . 72.4 111.752 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -96.14 30.02 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.897 0.379 . . . . 74.41 111.245 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -102.98 142.54 33.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 75.23 111.054 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.9 m -143.84 139.68 29.41 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.733 -1.21 . . . . 73.14 107.733 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.732 ' HG2' HD13 ' A' ' 109' ' ' ILE . 13.3 ptp180 -162.94 175.86 10.75 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.307 -0.557 . . . . 73.33 111.245 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.439 ' HE1' ' HB3' ' A' ' 122' ' ' TYR . 47.7 m-85 -124.47 129.1 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 75.31 110.042 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.39 136.62 43.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.401 -0.592 . . . . 74.33 109.401 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG13 ' HE1' ' A' ' 15' ' ' PHE . 59.8 t -123.31 130.32 74.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.531 -0.467 . . . . 72.2 111.364 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.82 143.49 45.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.582 -0.735 . . . . 75.01 109.447 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.672 ' HB2' HD23 ' A' ' 18' ' ' LEU . 11.8 t70 -99.66 100.16 11.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.884 -1.154 . . . . 75.24 107.884 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' HD2' HD12 ' A' ' 105' ' ' ILE . 6.1 m-85 -99.55 141.56 32.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 74.41 111.782 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.96 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 4.0 ttpp -119.41 117.53 28.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.289 -0.869 . . . . 75.11 110.831 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.591 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 4.2 p90 -121.59 172.98 7.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.581 -0.736 . . . . 74.3 110.23 -174.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.751 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 21.7 p -132.41 132.22 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.079 -0.509 . . . . 71.31 110.481 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -129.22 142.81 50.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.249 -0.432 . . . . 74.01 109.902 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -60.38 117.22 4.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.401 . . . . 55.14 111.35 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.572 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 56.6 ttt180 -88.76 136.33 33.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 74.43 109.591 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.92 114.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.152 0.501 . . . . 75.14 111.097 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.88 13.78 81.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.908 -0.663 . . . . 73.11 112.584 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.72 -166.56 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.36 -0.237 . . . . 73.24 110.36 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.66 -142.77 10.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.977 -0.63 . . . . 71.34 112.579 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.751 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 25.8 p -88.44 118.29 27.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.885 0.374 . . . . 74.45 111.366 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 90' ' ' THR . 16.0 m -70.11 113.46 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 74.51 109.745 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.485 ' HD2' ' HD2' ' A' ' 88' ' ' LYS . 28.1 ttpt -100.98 112.82 25.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.26 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.5 mtt -131.41 139.71 49.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 75.23 110.469 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.96 ' HB3' ' HB2' ' A' ' 88' ' ' LYS . 1.4 p30 -125.54 130.21 51.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 73.55 110.259 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.894 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -162.35 154.24 18.69 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.985 0.898 . . . . 73.25 112.555 177.001 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 3.7 tt -76.48 128.89 37.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 113.709 -1.587 . . . . 75.45 112.011 -174.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.719 HG22 ' HB2' ' A' ' 139' ' ' LEU . 24.6 pt -123.09 135.94 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.501 -0.772 . . . . 75.25 111.021 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.584 ' HE1' HG23 ' A' ' 138' ' ' ILE . 41.3 m-85 -87.87 114.14 24.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.419 -0.809 . . . . 71.42 110.376 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.1 102.5 14.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.112 -0.699 . . . . 74.21 109.112 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -97.22 113.42 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 73.34 110.523 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.732 HD13 ' HG2' ' A' ' 81' ' ' ARG . 58.1 mt -86.28 109.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.548 -0.538 . . . . 74.43 109.548 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' A' ' 119' ' ' LYS . 50.5 t -140.62 87.36 11.55 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.541 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.0 Cg_exo -65.39 137.29 50.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.877 2.384 . . . . 73.32 111.309 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.31 -55.72 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.163 -0.31 . . . . 75.23 110.163 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 44.63 3.35 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.782 -0.645 . . . . 75.41 112.199 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -102.89 176.6 5.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.746 0.308 . . . . 72.11 110.307 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.615 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 52.8 m -66.33 103.92 1.11 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.751 -0.659 . . . . 72.02 110.36 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 120' ' ' MET . 86.1 mt -53.44 -43.12 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 73.0 112.631 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -52.92 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.738 -0.385 . . . . 65.3 111.84 -174.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.615 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 22.1 ptmt -68.48 -34.43 75.91 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 74.54 110.169 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.642 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 36.2 ttpt -70.66 -32.36 69.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.213 0.53 . . . . 74.41 109.669 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.687 ' HG2' ' H1 ' ' A' ' 1' ' ' MET . 10.9 ttt -64.77 -34.0 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 74.4 109.904 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 1' ' ' MET . 58.0 t -63.58 -47.88 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.075 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.468 ' CE1' HG12 ' A' ' 32' ' ' ILE . 56.9 m-85 -62.8 -39.39 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.832 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.11 -32.43 69.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.516 . . . . 64.31 110.831 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 m -77.12 -18.22 58.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 73.12 110.334 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.42 ' OG ' HD13 ' A' ' 32' ' ' ILE . 13.6 m -79.77 -30.29 40.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 75.23 110.9 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.437 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . . . -52.96 -45.02 67.56 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.904 0.383 . . . . 74.33 110.993 176.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.27 92.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.907 -0.588 . . . . 65.25 110.819 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.52 47.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.942 -0.572 . . . . 73.12 111.546 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.44 HD11 HG12 ' A' ' 11' ' ' VAL . 3.5 tp -62.16 -32.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.165 0.507 . . . . 73.41 110.756 -175.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -72.87 -40.45 65.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.133 -0.485 . . . . 75.35 110.126 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.0 m -68.05 -40.38 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 73.01 110.772 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.553 ' HB3' HG13 ' A' ' 7' ' ' VAL . 15.6 p -66.56 -26.92 67.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.614 -0.266 . . . . 74.45 111.23 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.565 HD23 ' HZ ' ' A' ' 106' ' ' PHE . 10.9 mp -95.89 -15.41 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.862 -0.335 . . . . 73.13 111.129 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.4 26.62 74.38 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.99 -0.55 . . . . 73.23 112.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.5 m 68.07 -76.82 0.05 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.802 0.441 . . . . 75.34 110.846 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.31 78.45 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.08 -0.581 . . . . 74.24 112.748 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? 60.63 91.65 0.05 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.113 0.565 . . . . 73.32 111.148 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.618 HG22 HG21 ' A' ' 104' ' ' ILE . 2.6 pp -134.68 169.06 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.759 -0.655 . . . . 74.24 110.829 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.719 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.0 mm? -117.9 146.66 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 74.25 108.962 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.04 131.93 31.39 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 72.03 109.828 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' A' ' 105' ' ' ILE . 51.2 p90 -137.28 143.09 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.248 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -103.18 124.71 49.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 74.04 110.414 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.6 m -115.48 140.13 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.257 -0.429 . . . . 71.0 110.681 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.5 m -122.59 -33.97 3.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.92 -0.582 . . . . 75.2 109.944 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -107.81 154.76 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 53.12 110.222 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.46 ' H ' ' HG3' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -71.88 -21.7 61.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.05 0.389 . . . . 71.21 112.05 -175.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 49.5 m -74.01 -17.56 60.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.954 0.406 . . . . 73.2 110.813 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.26 -22.84 28.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.908 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.665 ' HG3' HG12 ' A' ' 67' ' ' VAL . 22.9 ptp -96.16 14.43 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 75.04 110.199 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.5 m -81.1 167.08 20.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 72.22 110.538 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -63.62 -29.87 71.05 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.082 0.771 . . . . 74.1 113.082 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -65.92 -45.19 82.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.872 -0.331 . . . . 75.24 110.987 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 20.6 mm-40 -72.24 -30.82 65.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.801 0.297 . . . . 62.03 111.801 -176.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.97 -46.3 88.37 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.669 -0.493 . . . . 71.35 109.669 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.5 tt -62.91 -40.38 97.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 74.42 109.792 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -55.52 -55.13 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 71.01 111.422 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 42.1 mmtt -69.03 -39.31 79.29 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 75.31 110.248 -175.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.09 -15.05 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 72.11 110.442 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.69 -44.06 3.76 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.087 -0.577 . . . . 44.0 112.365 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 165' ' ' HIS . 2.9 pp20? -70.95 -12.48 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.573 -0.369 . . . . 73.51 111.506 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -74.97 -17.88 60.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 75.32 111.455 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.543 ' HE1' ' HZ ' ' A' ' 89' ' ' PHE . 15.4 p90 -122.82 -24.63 4.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.618 -0.433 . . . . 74.14 111.516 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -131.89 -156.03 8.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.067 -1.063 . . . . 74.23 113.426 -173.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -84.49 146.19 27.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.92 0.391 . . . . 72.24 110.855 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 160' ' ' GLU . 18.3 p80 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.277 -0.868 . . . . 65.04 110.14 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' HG23 ' A' ' 121' ' ' VAL . 63.6 mtm . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 109.922 -0.399 . . . . 71.32 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.588 ' HB2' ' HE3' ' A' ' 120' ' ' MET . 1.2 t -87.95 64.67 7.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.244 -1.021 . . . . 72.21 108.244 174.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -92.76 14.04 18.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.911 -1.04 . . . . 64.45 110.466 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.64 67.1 1.32 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.589 -1.005 . . . . 60.15 110.589 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 36' ' ' LYS . 98.4 t -56.9 127.25 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.218 0.532 . . . . 75.43 110.307 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 54.2 mtt -98.53 158.76 15.4 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.519 -0.764 . . . . 75.24 109.312 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.825 ' HB ' HG21 ' A' ' 11' ' ' VAL . 34.6 m -109.29 131.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 116.395 -0.366 . . . . 74.11 110.042 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.688 ' HB2' HG22 ' A' ' 38' ' ' ILE . 15.7 t70 -61.52 136.97 94.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.377 -0.601 . . . . 54.12 109.377 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -29.68 6.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.386 2.724 . . . . 73.32 114.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -82.13 -14.59 55.5 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.349 0.5 . . . . 71.11 112.349 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.825 HG21 ' HB ' ' A' ' 7' ' ' VAL . 33.1 m -59.45 -49.43 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.404 -0.518 . . . . 74.24 111.483 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.76 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 49.0 mt-30 -73.56 -26.54 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 72.33 110.377 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -65.35 -41.67 93.61 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.818 -0.628 . . . . 73.42 109.713 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -71.35 -27.97 63.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 74.42 111.424 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.76 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 24.2 m-85 -59.38 -57.99 10.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 73.33 109.83 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.27 -38.13 85.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 74.14 110.588 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 35.4 ttmt -45.4 -50.67 12.18 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.268 -0.878 . . . . 73.53 112.16 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.27 -34.8 18.79 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.974 -0.29 . . . . 74.32 111.183 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -69.38 -35.68 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.409 0.522 . . . . 75.32 112.409 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -11.17 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.503 -0.479 . . . . 73.34 110.868 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.74 -89.38 0.42 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 109.917 -1.273 . . . . 72.43 109.917 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 99.2 mtt180 -108.47 -73.11 0.7 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.103 -1.073 . . . . 75.14 108.103 164.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HZ3' ' CG ' ' A' ' 102' ' ' ASP . 20.4 pttp 139.71 -32.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.721 2.008 . . . . 70.12 109.392 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 18.0 mp0 -84.14 0.73 47.43 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.72 0.772 . . . . 71.03 109.11 172.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -106.63 126.89 52.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.75 -1.114 . . . . 74.54 109.573 -176.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 1.025 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 14.9 ttt180 68.25 116.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.286 0.991 . . . . 74.03 110.399 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 53.7 m-85 -104.36 168.32 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.615 -0.434 . . . . 74.53 110.652 -175.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.606 HD13 HG21 ' A' ' 39' ' ' VAL . 10.6 tp -133.7 137.1 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.355 0.597 . . . . 63.53 111.422 -171.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.71 135.59 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 52.22 110.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' HB2' ' HB3' ' A' ' 82' ' ' TYR . 92.5 m-85 -116.46 136.62 52.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 74.33 110.717 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . 3.5 tptm -127.01 160.72 30.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.239 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 HD12 ' OG ' ' A' ' 125' ' ' SER . 18.7 mm -99.12 122.48 50.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.319 0.58 . . . . 72.02 110.641 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.591 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 11.5 t70 -124.08 141.28 52.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.595 -1.261 . . . . 74.44 107.595 173.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 59.26 -97.44 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 63.11 110.19 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -147.15 22.02 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.575 . . . . 74.24 110.306 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.591 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -136.98 159.4 41.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.537 -0.302 . . . . 74.24 110.295 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.439 ' HA ' HD13 ' A' ' 32' ' ' ILE . 9.5 p -92.49 132.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.379 0.609 . . . . 74.3 110.909 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.688 HG22 ' HB2' ' A' ' 8' ' ' ASP . 50.8 pt -126.83 171.41 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 73.34 110.516 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG21 HD13 ' A' ' 28' ' ' ILE . 2.2 p -84.77 119.34 33.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.001 -0.545 . . . . 72.52 109.825 174.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 42.7 tt0 -86.86 -51.4 6.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 73.34 110.498 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.89 151.55 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 71.04 111.28 -172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.57 74.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.75 -0.833 . . . . 73.43 108.75 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.16 122.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.789 . . . . 71.41 111.305 -173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 1.025 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 1.7 t -114.82 148.43 38.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.056 175.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.5 pt20 -82.16 -18.32 43.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.252 -0.431 . . . . 75.34 111.124 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -44.74 79.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.588 -0.278 . . . . 73.53 110.631 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.924 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.6 pt20 -78.2 -23.26 47.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.262 0.553 . . . . 73.13 109.801 175.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.599 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 48.6 tp -65.4 -21.01 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.203 -0.908 . . . . 73.45 110.63 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.94 7.63 25.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.383 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.598 HG22 ' H ' ' A' ' 51' ' ' THR . 13.1 mm -90.33 171.98 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 75.11 108.943 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.598 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.7 p -71.71 -68.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -171.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.34 -75.79 0.03 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.274 -1.441 . . . . 70.32 114.545 -176.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' H ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 m-20 -108.45 139.92 42.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.801 0.301 . . . . 63.0 110.636 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 59' ' ' SER . 24.9 t70 -57.43 -63.94 1.06 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.947 0.721 . . . . 75.1 112.947 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -104.53 -19.1 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.969 -0.693 . . . . 75.51 111.301 -173.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 88' ' ' LYS . 35.7 t70 -84.04 -26.72 28.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.244 0.545 . . . . 74.33 110.737 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 33.6 t70 -124.75 11.03 8.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.774 0.797 . . . . 73.13 109.884 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p 49.06 68.57 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.935 -1.03 . . . . 72.31 112.718 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.488 ' HB3' HG23 ' A' ' 50' ' ' ILE . 19.8 m -109.0 9.8 26.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.336 -0.847 . . . . 75.5 109.147 174.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -52.35 -25.62 10.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.457 -1.247 . . . . 74.12 112.528 -178.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.83 41.29 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.341 . . . . 65.11 111.316 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -49.94 70.09 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.0 110.618 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.5 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 85.7 m-85 -73.58 -23.44 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.281 0.562 . . . . 74.42 110.375 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' O ' HG21 ' A' ' 67' ' ' VAL . 20.4 t70 -63.56 -49.57 72.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.251 -0.886 . . . . 74.32 110.438 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.7 ptmt -78.57 -15.76 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 73.12 111.028 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 63' ' ' PHE . 4.3 m-30 -62.87 -29.46 70.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.182 -0.207 . . . . 74.51 111.502 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 64' ' ' ASP . 17.3 m -61.79 -24.36 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.087 0.47 . . . . 64.42 110.284 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.46 -57.94 2.94 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.956 -0.566 . . . . 65.12 110.307 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -47.57 -41.62 21.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.993 -1.003 . . . . 65.04 110.355 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -54.64 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.383 -0.826 . . . . 63.54 111.661 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 16.9 pttm -74.29 -21.59 59.67 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 119.12 -1.032 . . . . 75.13 111.826 -166.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -57.31 -52.05 66.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.005 0.431 . . . . 62.24 110.42 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 73' ' ' ARG . 7.6 ppt_? -86.14 -5.19 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.511 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 71' ' ' LYS . 54.2 m -83.07 -35.69 25.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.535 -0.302 . . . . 70.03 111.09 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 69.54 -80.91 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.026 0.75 . . . . 74.14 113.026 170.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.52 10.65 37.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 74.35 110.844 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 85.3 mt 66.65 28.36 9.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.483 0.659 . . . . 71.11 110.308 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -83.77 12.03 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.305 -0.861 . . . . 72.22 110.24 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' HB2' HG21 ' A' ' 74' ' ' THR . 32.5 t70 -77.01 140.95 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 74.41 110.909 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.09 134.08 10.27 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.833 -0.803 . . . . 71.24 108.833 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.579 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 7.0 ptt180 -164.54 166.02 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.262 -0.426 . . . . 75.22 110.79 -174.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t80 -111.28 127.89 55.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.355 -0.98 . . . . 74.55 108.355 173.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 107' ' ' LEU . . . -126.83 143.37 51.28 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.773 -0.371 . . . . 73.21 110.926 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.25 122.53 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.971 0.415 . . . . 74.52 110.46 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.665 ' O ' HG12 ' A' ' 105' ' ' ILE . 36.8 m-85 -136.3 121.48 19.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.799 -0.637 . . . . 74.35 109.708 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.693 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 t70 -86.39 99.1 11.38 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.192 -1.41 . . . . 65.33 107.192 168.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 145.15 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.069 -0.514 . . . . 74.41 109.864 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.869 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 7.2 pttt -124.14 153.75 41.06 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.403 0.62 . . . . 74.02 111.069 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.706 ' CD2' ' HG ' ' A' ' 155' ' ' LEU . 14.9 p90 -146.74 -175.82 4.95 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.513 -1.221 . . . . 73.1 108.739 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 p -128.41 130.5 47.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.087 0.47 . . . . 74.05 111.308 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.728 ' HB2' ' HE3' ' A' ' 101' ' ' MET . 48.9 t -97.08 123.44 40.83 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.802 -0.814 . . . . 74.13 108.802 173.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 p -80.7 113.48 18.93 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.305 -0.407 . . . . 75.12 110.041 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.879 ' HB2' ' HB1' ' A' ' 96' ' ' ALA . 23.0 mtt180 -65.08 137.23 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.308 -0.627 . . . . 75.41 109.308 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.1 112.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 110.082 -0.34 . . . . 75.03 110.082 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.27 79.02 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.921 -0.581 . . . . 65.13 113.163 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.879 ' HB1' ' HB2' ' A' ' 93' ' ' ARG . . . -146.66 -163.24 1.71 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.177 0.489 . . . . 74.31 111.064 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.59 -154.82 18.81 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.09 -0.576 . . . . 74.34 113.37 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -107.39 140.86 39.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.403 . . . . 73.44 111.23 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.9 m -117.42 117.12 28.61 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.527 -0.545 . . . . 75.24 109.527 173.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -76.21 148.45 37.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.45 -0.5 . . . . 73.23 109.681 177.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.728 ' HE3' ' HB2' ' A' ' 91' ' ' CYS . 12.5 ptt? -147.24 128.64 14.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.331 0.586 . . . . 73.3 109.455 172.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.869 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 2.2 p-10 -123.87 143.81 50.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.764 -1.107 . . . . 73.45 110.596 -171.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -165.34 135.08 3.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.888 0.375 . . . . 74.43 110.744 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.693 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.9 tt -59.67 121.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.258 -0.883 . . . . 71.13 110.874 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 85' ' ' PHE . 32.1 pt -106.31 137.55 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 74.34 110.339 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.58 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 70.5 m-85 -101.51 109.54 21.38 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.52 -0.764 . . . . 74.44 109.935 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.637 ' HB3' ' HB2' ' A' ' 83' ' ' ALA . 31.9 tp -92.73 104.32 16.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 75.12 110.62 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.803 ' HB3' ' HG2' ' A' ' 142' ' ' GLN . 25.9 tp60 -100.82 100.64 11.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.556 -0.747 . . . . 73.15 109.387 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.491 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.2 mt -89.04 104.64 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 72.4 110.388 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.5 m -125.4 83.3 61.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 75.34 111.158 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.657 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 4.8 Cg_endo -51.57 125.19 16.09 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.224 2.616 . . . . 71.52 111.693 174.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.73 -51.6 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.32 109.917 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.28 65.63 3.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.447 -0.661 . . . . 42.11 111.447 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.657 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -137.17 177.74 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.243 -0.281 . . . . 74.52 110.243 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -68.38 95.21 0.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 50.3 110.847 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.417 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 73.3 mt -56.28 -36.01 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.699 -0.682 . . . . 72.34 112.315 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -58.1 -55.41 35.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.605 -0.271 . . . . 73.44 111.69 -176.275 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 118' ' ' LYS . 19.2 ptmt -83.91 -23.04 31.37 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.787 -0.365 . . . . 75.03 110.859 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HD3' ' HB1' ' A' ' 114' ' ' ALA . 37.4 ttpt -67.35 -35.75 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 73.32 109.7 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.588 ' HE3' ' HB2' ' A' ' 2' ' ' SER . 0.3 OUTLIER -66.04 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.669 -0.696 . . . . 75.0 109.639 178.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 1' ' ' MET . 47.4 t -65.18 -41.92 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 74.21 110.075 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 22.6 m-85 -67.39 -33.91 76.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.21 111.167 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.09 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.228 0.537 . . . . 54.24 110.298 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.4 m -74.24 -16.61 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 75.4 110.676 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.477 ' OG ' HD12 ' A' ' 32' ' ' ILE . 18.5 m -68.8 -29.63 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.938 -0.393 . . . . 74.04 109.938 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.429 ' HB2' ' OE1' ' A' ' 108' ' ' GLN . . . -61.83 -42.85 99.55 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.979 -0.555 . . . . 64.32 110.058 174.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.59 94.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.658 -0.701 . . . . 70.14 110.535 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.18 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 73.21 111.038 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -35.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 74.41 111.157 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -70.11 -38.64 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 64.04 110.368 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.3 m -73.73 -38.27 64.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.883 0.373 . . . . 73.54 111.348 -176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.5 p -69.07 -52.23 30.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.312 -0.404 . . . . 71.04 111.699 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.48 -27.54 24.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.629 -0.428 . . . . 73.31 111.685 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.7 47.55 52.29 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 121.113 -0.565 . . . . 73.43 112.515 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -67.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.937 0.347 . . . . 63.44 111.937 -173.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.49 -30.43 8.3 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.85 -0.69 . . . . 72.24 112.606 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -122.75 104.32 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.447 0.641 . . . . 75.45 109.855 175.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.85 166.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.672 -0.695 . . . . 74.23 112.017 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.667 HD11 ' HE3' ' A' ' 161' ' ' LYS . 2.9 mm? -120.79 99.54 6.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.174 -0.676 . . . . 74.32 109.174 168.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -109.9 113.44 26.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.581 -0.736 . . . . 75.14 109.72 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 107' ' ' LEU . 8.5 p90 -113.74 123.97 51.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.168 0.508 . . . . 75.13 109.921 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.803 ' HG2' ' HB3' ' A' ' 108' ' ' GLN . 76.0 mt-30 -99.28 107.61 19.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 74.14 110.287 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 149' ' ' MET . 34.8 m -114.78 162.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 75.12 110.391 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.639 ' HB2' ' HA ' ' A' ' 111' ' ' PRO . 6.1 p -134.77 6.52 3.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.1 -0.5 . . . . 73.33 110.757 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -132.71 154.94 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.836 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' HA ' ' HE3' ' A' ' 149' ' ' MET . 10.4 pt-20 -70.24 -31.73 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 74.21 111.831 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -76.32 -25.71 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.061 0.458 . . . . 74.13 109.967 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.35 -21.75 49.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 74.51 111.356 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.525 ' HE3' ' HA ' ' A' ' 146' ' ' GLU . 27.1 ptt? -102.81 13.31 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.161 0.505 . . . . 64.55 110.391 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.2 m -75.31 156.37 35.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 74.01 110.811 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 9.3 p80 -55.82 -37.13 68.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.54 0.57 . . . . 73.22 112.54 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -60.76 -39.76 89.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 73.25 110.513 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.546 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 72.7 mm-40 -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.828 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.95 -43.08 91.2 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.373 -0.603 . . . . 73.23 109.373 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.706 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 7.6 tt -64.35 -47.13 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.119 -0.946 . . . . 73.33 109.683 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.72 -53.64 56.13 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.94 -0.573 . . . . 75.12 110.988 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.546 ' HD3' ' O ' ' A' ' 153' ' ' GLU . 10.0 mptt -54.8 -48.72 72.39 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.474 0.654 . . . . 73.23 111.462 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.516 ' HG ' ' HG ' ' A' ' 139' ' ' LEU . 5.3 tt -71.21 -36.57 71.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.254 -0.885 . . . . 75.43 110.722 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -79.79 -39.28 17.69 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.155 -0.545 . . . . 62.12 113.878 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -30.7 67.82 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.679 0.622 . . . . 72.33 112.679 -171.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.667 ' HE3' HD11 ' A' ' 139' ' ' LEU . 3.2 pptp? -72.7 -21.84 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 73.4 111.012 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.02 -42.4 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 73.12 111.655 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -102.14 -106.95 3.03 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.532 -0.842 . . . . 71.53 113.426 -173.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -98.25 127.62 44.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.946 0.403 . . . . 71.53 111.284 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.805 -0.634 . . . . 71.31 109.365 178.848 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.864 -0.421 . . . . 72.54 109.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -68.14 86.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 75.24 110.843 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -124.89 17.49 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.176 0.512 . . . . 74.53 110.626 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.02 50.51 1.75 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 63.51 111.65 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 125' ' ' SER . 57.6 t -60.6 123.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.708 -0.479 . . . . 75.1 109.708 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 93.6 mmm -100.63 169.43 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.23 0.538 . . . . 75.34 111.516 -173.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.477 HG12 ' CG1' ' A' ' 37' ' ' VAL . 30.2 m -117.85 120.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.382 -0.826 . . . . 75.31 108.972 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 143.17 87.02 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 120.896 -0.322 . . . . 75.32 110.471 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.3 -31.81 18.21 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.7 2.933 . . . . 74.53 113.835 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.23 -30.93 68.62 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.715 0.265 . . . . 65.24 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.73 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 73.14 110.352 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 52.9 mt-30 -64.17 -31.83 73.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 74.52 111.353 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -62.43 -43.37 98.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.898 0.38 . . . . 73.34 110.707 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 m -66.16 -36.84 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 63.14 110.192 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CD2' HD13 ' A' ' 133' ' ' LEU . 31.3 m-85 -63.62 -31.07 72.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.034 -0.53 . . . . 75.51 111.367 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 32.0 mm-40 -68.53 -55.19 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 72.23 110.64 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 18.6 ptmt -68.68 -21.49 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.575 -0.284 . . . . 72.03 111.628 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 23' ' ' LYS . 11.8 tp -65.66 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.428 -0.582 . . . . 75.44 109.428 169.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -68.37 -30.67 69.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.91 0.707 . . . . 71.32 112.91 -171.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 11.4 pt-20 -67.05 -34.1 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.944 0.72 . . . . 73.34 112.944 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.71 -8.72 0.21 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 119.222 -1.466 . . . . 73.1 114.621 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 3.6 mmp_? -109.37 -57.35 2.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.031 0.916 . . . . 73.33 111.619 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HZ2' ' CG ' ' A' ' 102' ' ' ASP . 1.6 mtpm? 69.12 -73.45 0.09 Allowed 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.032 0.833 . . . . 74.22 111.268 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' A' ' 88' ' ' LYS . 18.9 mp0 -98.38 21.25 11.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.79 0.329 . . . . 74.12 110.427 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.677 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 96.1 m-85 -134.69 138.68 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.122 -0.231 . . . . 75.22 110.883 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 17.3 mtp180 67.23 117.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.236 0.96 . . . . 74.21 110.675 -174.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 20.3 p90 -106.02 150.2 25.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.583 -178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.503 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.6 tp -108.74 123.19 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.368 0.604 . . . . 75.13 110.792 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.0 mm -115.02 133.88 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.292 -0.867 . . . . 73.14 109.175 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' HD2' HG22 ' A' ' 37' ' ' VAL . 2.0 p90 -143.19 151.35 40.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.44 . . . . 54.12 111.641 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' O ' HD11 ' A' ' 38' ' ' ILE . 1.3 mptm? -127.71 162.18 27.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 61.21 110.709 -177.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.489 HD12 ' HB ' ' A' ' 37' ' ' VAL . 32.8 mm -85.99 127.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 71.34 110.427 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.9 t70 -145.37 147.6 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.408 -0.59 . . . . 74.02 109.408 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 64.4 -81.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.448 0.467 . . . . 74.3 110.908 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -160.17 9.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.691 -0.686 . . . . 75.1 109.785 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -141.28 -178.17 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 74.01 109.662 -178.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG22 ' HD2' ' A' ' 30' ' ' PHE . 8.4 p -106.32 132.99 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.856 0.36 . . . . 71.32 110.925 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.577 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -119.24 164.79 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.326 -0.397 . . . . 71.42 110.429 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.6 134.54 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 75.41 111.39 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -102.76 -58.51 1.86 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 71.21 109.918 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.74 35.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 73.24 111.125 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -145.59 78.3 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.433 -0.803 . . . . 64.32 109.053 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.6 151.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.854 -0.612 . . . . 72.33 110.486 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.607 HG23 ' HG2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -89.72 149.26 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.044 0.449 . . . . 71.11 110.999 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.767 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.9 pt20 -78.38 -18.8 54.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 72.45 110.969 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -69.15 -31.91 70.89 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.718 0.294 . . . . 73.11 110.906 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.607 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.4 pt20 -91.31 -18.32 24.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.304 0.573 . . . . 75.15 109.964 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.767 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 15.9 tp -65.64 -24.04 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.409 -0.814 . . . . 74.54 111.036 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.51 -3.17 6.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.818 -0.706 . . . . 74.11 111.99 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.511 HG21 ' H ' ' A' ' 51' ' ' THR . 8.4 mm -98.94 169.37 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.899 -0.778 . . . . 70.4 108.899 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.511 ' H ' HG21 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.29 -55.58 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.434 0.531 . . . . 75.42 112.434 -177.093 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.34 -66.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.414 -1.374 . . . . 73.23 114.379 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -77.52 134.97 38.18 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.895 0.379 . . . . 72.03 111.719 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 17.6 t70 -56.14 -60.76 3.03 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.765 -0.652 . . . . 72.43 112.75 -174.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.726 ' HB2' ' HA ' ' A' ' 89' ' ' PHE . 25.0 t80 -101.86 -36.61 8.59 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.208 -0.597 . . . . 70.34 111.342 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.09 -27.42 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.224 0.535 . . . . 73.21 110.21 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.1 5.63 7.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 71.03 110.581 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m 53.04 33.03 13.97 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.912 -0.585 . . . . 75.31 111.682 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.506 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 70.5 m -68.22 -10.22 52.88 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.429 0.529 . . . . 72.23 112.429 -174.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -59.0 -22.68 61.03 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.44 -0.578 . . . . 75.33 109.44 172.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HA ' ' CD2' ' A' ' 151' ' ' HIS . . . -48.22 -22.05 0.6 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.687 -0.688 . . . . 70.31 111.877 173.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -51.71 -32.36 29.92 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.694 0.283 . . . . 70.31 111.181 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 67' ' ' VAL . 63.7 m-85 -67.96 -23.21 65.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.619 0.247 . . . . 74.31 111.392 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.49 -42.95 97.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.055 0.455 . . . . 64.41 110.499 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptmt -84.92 -16.32 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.556 . . . . 73.55 110.873 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' HZ ' HD23 ' A' ' 48' ' ' LEU . 9.5 m-85 -80.39 -21.22 42.51 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.107 -0.237 . . . . 72.34 111.19 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 63' ' ' PHE . 89.7 t -58.73 -37.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.418 -0.586 . . . . 74.4 109.418 170.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -66.77 -36.72 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.384 -0.826 . . . . 73.34 110.37 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.88 -51.92 67.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.1 0.476 . . . . 74.54 110.079 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 66' ' ' PHE . 60.0 t -56.21 -59.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.188 -0.915 . . . . 63.42 111.307 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -24.83 67.52 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 74.32 112.318 -173.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.3 m -76.41 -41.68 46.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.003 -0.279 . . . . 64.42 110.999 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -86.55 -8.45 57.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.352 . . . . 74.5 111.721 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 p -98.13 -68.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.665 -0.414 . . . . 73.34 111.837 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.11 -69.88 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.952 0.782 . . . . 74.34 109.348 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -113.42 98.42 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.65 -1.241 . . . . 75.32 107.65 167.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 77' ' ' LEU . 1.9 pt? -49.28 100.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.781 0.8 . . . . 71.54 112.874 -169.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.8 m -120.22 -5.42 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.127 -0.942 . . . . 74.31 109.052 174.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.28 142.2 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.921 -1.036 . . . . 73.21 110.096 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.616 ' SG ' ' HE2' ' A' ' 118' ' ' LYS . 9.8 p -155.42 144.5 20.81 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.302 -0.629 . . . . 72.52 109.302 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -147.75 166.87 26.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.673 -0.239 . . . . 74.14 110.959 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.3 t80 -115.91 130.56 56.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 75.54 109.306 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.47 51.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.46 -0.336 . . . . 74.13 110.84 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.453 HG12 ' HE1' ' A' ' 15' ' ' PHE . 92.5 t -133.52 134.52 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.529 -0.305 . . . . 72.14 110.714 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -139.35 140.85 37.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.03 110.097 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.618 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 7.4 t70 -100.94 99.62 10.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.133 -1.062 . . . . 72.15 108.133 169.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.57 132.68 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.696 -0.683 . . . . 71.41 111.835 -175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 31.7 ttmt -104.86 108.75 20.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 73.33 109.802 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.726 ' HA ' ' HB2' ' A' ' 55' ' ' TYR . 7.3 p90 -119.74 -172.6 2.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.666 -0.494 . . . . 74.55 109.666 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.915 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 23.3 p -106.87 134.01 50.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 64.21 110.652 175.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.24 112.76 24.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.384 -0.598 . . . . 74.52 109.384 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.653 ' HA ' HG23 ' A' ' 98' ' ' THR . 14.8 m -70.45 108.1 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.697 -0.683 . . . . 74.44 110.822 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -99.08 120.82 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 75.5 110.359 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.07 121.27 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 74.44 110.984 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.87 -2.46 76.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.015 -0.612 . . . . 64.24 111.974 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.87 -159.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.595 0.236 . . . . 72.44 110.404 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.13 166.8 12.73 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.927 -0.654 . . . . 75.12 111.659 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.915 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.4 p -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.757 0.313 . . . . 72.14 110.883 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -100.13 135.6 41.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.358 -0.383 . . . . 71.12 110.224 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.6 mtmt -71.25 130.97 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.414 0.626 . . . . 73.31 111.234 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.5 ttt -143.6 131.82 21.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.972 -1.013 . . . . 74.34 109.668 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.3 p30 -104.51 146.43 28.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.014 -0.539 . . . . 73.21 110.962 -177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.842 ' HA ' ' HZ3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -167.19 155.11 9.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.809 0.814 . . . . 75.43 112.51 166.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.683 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 3.7 tt -85.88 138.04 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.372 -1.286 . . . . 74.04 112.305 -171.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 139' ' ' LEU . 38.2 pt -125.44 153.09 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 71.32 110.712 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' HB2' ' HG2' ' A' ' 140' ' ' GLN . 60.2 m-85 -103.46 110.65 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.138 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.7 102.52 15.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 74.53 109.872 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.685 HE22 ' HB1' ' A' ' 126' ' ' ALA . 34.5 tt0 -113.62 116.02 28.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 73.22 110.961 173.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.712 HG23 HG21 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -99.23 103.05 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.472 0.654 . . . . 75.31 110.031 171.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.4 p -122.7 96.78 45.08 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.526 -0.761 . . . . 64.54 110.297 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.901 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 35.5 Cg_exo -60.66 142.21 97.21 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.925 2.416 . . . . 65.1 112.379 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.43 -56.99 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 74.32 110.12 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.0 62.17 4.23 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.906 -0.588 . . . . 71.12 111.889 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.901 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -119.81 175.69 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.888 0.375 . . . . 74.2 110.89 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 m -65.51 103.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 74.04 110.583 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.89 -34.2 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.675 0.609 . . . . 74.23 111.815 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.5 mttm -52.36 -60.63 2.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.625 -0.261 . . . . 75.42 111.462 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.616 ' HE2' ' SG ' ' A' ' 80' ' ' CYS . 20.2 ptmt -83.5 -27.06 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 74.54 110.876 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.49 -37.46 86.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.807 -0.633 . . . . 74.31 110.97 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -35.17 61.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 73.32 110.241 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 117' ' ' LYS . 64.7 t -64.11 -38.16 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.886 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.42 ' HA ' ' OG ' ' A' ' 125' ' ' SER . 14.2 m-85 -66.4 -36.56 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.668 0.271 . . . . 75.44 110.824 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.85 68.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 63.22 110.342 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -80.34 -43.13 21.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.749 -0.66 . . . . 73.25 110.948 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.475 ' HB3' HG13 ' A' ' 5' ' ' VAL . 4.4 p -70.64 -19.39 62.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 73.45 111.36 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.685 ' HB1' HE22 ' A' ' 108' ' ' GLN . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.171 0.51 . . . . 73.21 110.351 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.44 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 63.41 110.678 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.66 59.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.125 -0.488 . . . . 75.41 111.179 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.5 tp -61.94 -35.54 68.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.336 -0.393 . . . . 72.41 110.826 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -79.04 -25.74 43.2 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.009 -0.277 . . . . 74.31 111.095 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.3 m -79.7 -30.07 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.54 . . . . 73.14 110.145 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.6 m -72.33 -30.72 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 64.25 111.006 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 15' ' ' PHE . 10.2 mp -100.64 -25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.071 0.397 . . . . 75.21 112.071 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.69 -106.01 0.87 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.856 -0.688 . . . . 65.32 111.505 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.577 HG21 ' H ' ' A' ' 137' ' ' LYS . 20.2 m 62.2 -73.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.264 0.626 . . . . 75.13 112.569 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.39 -30.15 9.66 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.652 -0.579 . . . . 75.45 111.652 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.577 ' H ' HG21 ' A' ' 135' ' ' THR . 15.2 tppt? -87.51 71.28 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.583 -0.525 . . . . 73.43 109.583 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.526 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 pp -145.49 153.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.762 -0.653 . . . . 75.43 110.687 -177.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.779 ' HB2' HG21 ' A' ' 105' ' ' ILE . 3.2 mm? -121.85 104.37 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.106 0.479 . . . . 74.52 110.413 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -97.85 106.5 18.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.126 -0.694 . . . . 72.25 109.126 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 105' ' ' ILE . 33.9 p90 -102.41 128.72 48.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.054 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -99.56 103.18 14.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.245 0.545 . . . . 74.23 110.702 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.712 HG21 HG23 ' A' ' 109' ' ' ILE . 30.7 m -117.47 171.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.417 -0.81 . . . . 74.52 109.943 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 111' ' ' PRO . 4.8 p -132.68 -41.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.477 0.547 . . . . 74.13 112.477 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -93.84 159.02 15.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 71.41 111.327 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.483 ' HB2' HG12 ' A' ' 67' ' ' VAL . 4.9 pt-20 -56.34 -34.34 66.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.595 -0.73 . . . . 75.4 111.637 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.1 m -68.95 -22.26 64.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.845 0.355 . . . . 64.31 110.905 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.6 ' CB ' ' HB ' ' A' ' 143' ' ' VAL . 52.7 mt-10 -87.37 -16.59 34.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.057 0.456 . . . . 73.4 111.139 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -105.51 13.06 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.468 0.652 . . . . 75.31 109.826 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.6 m -77.25 161.22 28.3 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.136 -0.938 . . . . 75.14 110.695 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.511 ' HB2' ' CG ' ' A' ' 60' ' ' LYS . 3.3 p80 -63.44 -24.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.477 0.918 . . . . 72.32 113.477 -171.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -60.27 -60.11 4.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.468 0.544 . . . . 74.12 112.468 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' A' ' 148' ' ' GLU . 10.5 pt-20 -77.85 -18.03 56.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.213 -0.595 . . . . 75.54 112.512 -170.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.4 -38.52 71.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.464 -0.569 . . . . 73.02 109.464 172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.617 HD13 ' HE2' ' A' ' 55' ' ' TYR . 6.3 tt -68.15 -49.93 57.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.4 -0.818 . . . . 73.43 109.47 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.666 ' O ' ' HG3' ' A' ' 160' ' ' GLU . 48.5 t30 -58.41 -58.13 9.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 75.34 111.338 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -20.81 65.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.436 0.532 . . . . 70.52 112.436 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.4 HD13 ' CG2' ' A' ' 105' ' ' ILE . 27.3 tp -82.69 -29.65 29.75 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.603 -0.439 . . . . 74.14 110.086 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.33 -35.24 5.31 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.6 -0.81 . . . . 55.03 115.029 -171.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.712 ' OE2' ' HG3' ' A' ' 161' ' ' LYS . 0.0 OUTLIER -50.25 -62.39 1.61 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.505 1.298 . . . . 52.14 114.505 -165.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.712 ' HG3' ' OE2' ' A' ' 160' ' ' GLU . 0.2 OUTLIER -64.28 -25.0 67.86 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.223 0.823 . . . . 65.1 113.223 -172.366 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.501 ' N ' ' HD2' ' A' ' 161' ' ' LYS . 11.0 m-85 -93.62 -25.4 17.53 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.571 -0.452 . . . . 70.0 111.156 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -113.22 -112.12 3.08 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.813 -0.708 . . . . 64.14 112.249 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.99 107.25 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.832 0.348 . . . . 74.23 110.679 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.906 -1.045 . . . . 74.11 110.3 179.004 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.533 -0.173 . . . . 72.24 110.533 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.5 ' HA ' ' HE3' ' A' ' 120' ' ' MET . 3.8 m -67.72 -30.07 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 70.11 109.785 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -93.6 10.88 30.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.101 -0.954 . . . . 63.52 110.706 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.17 158.28 16.72 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.046 -0.597 . . . . 73.32 112.03 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.42 147.05 23.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.65 -0.5 . . . . 71.34 109.65 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.1 mmm -99.76 164.56 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.959 -0.386 . . . . 73.31 109.959 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.401 HG23 HG11 ' A' ' 37' ' ' VAL . 6.2 p -129.32 132.2 66.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.668 0.27 . . . . 71.13 110.946 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.28 127.22 89.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 73.24 109.877 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.78 -29.01 79.16 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.152 2.568 . . . . 74.23 113.872 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -74.34 -3.76 32.26 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.798 0.295 . . . . 75.23 111.798 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.625 HG11 ' HE1' ' A' ' 30' ' ' PHE . 19.3 t -59.01 -46.07 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.999 0.428 . . . . 71.53 109.944 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.2 -38.57 88.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 72.45 110.369 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 m -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 75.02 110.622 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 m -76.49 -30.26 57.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 64.4 111.392 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 133' ' ' LEU . 84.7 t80 -64.9 -44.4 89.74 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.878 0.371 . . . . 74.43 110.919 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.46 -27.97 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.54 111.382 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 33.9 ttmt -56.52 -41.16 76.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.599 -0.728 . . . . 63.02 111.65 -174.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' A' ' 27' ' ' TYR . 2.1 pt? -100.1 -28.16 13.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.295 -0.562 . . . . 75.12 110.598 175.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -59.14 -45.07 91.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.203 -0.453 . . . . 74.52 112.141 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.26 1.72 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.309 -0.556 . . . . 74.13 110.782 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.17 -135.03 7.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.74 -0.743 . . . . 62.41 112.111 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 62.5 mmt-85 -74.06 -6.68 49.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.519 0.192 . . . . 75.51 111.519 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.1 mppt? 69.61 -54.86 0.59 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.708 0.63 . . . . 74.1 110.801 -172.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 53' ' ' ASP . 43.2 mt-10 -80.13 14.91 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.497 0.665 . . . . 74.42 110.0 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' C ' ' HB ' ' A' ' 44' ' ' THR . 11.8 t80 -71.29 -179.4 2.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.344 -0.844 . . . . 73.3 108.772 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.777 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 29.6 ptt180 -57.91 121.09 9.7 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.255 -0.578 . . . . 75.12 111.106 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.531 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -98.9 179.21 4.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.725 -0.67 . . . . 73.51 111.379 -173.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.429 ' CD1' HG21 ' A' ' 39' ' ' VAL . 5.7 tp -107.21 130.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.222 -0.899 . . . . 71.53 112.195 -166.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.665 ' HB ' ' HB1' ' A' ' 41' ' ' ALA . 37.7 mm -112.02 130.12 66.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.448 -0.796 . . . . 74.22 109.573 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.757 ' HE2' HG23 ' A' ' 84' ' ' VAL . 92.2 m-85 -106.8 137.93 43.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 74.54 111.65 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -129.37 158.19 39.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 70.04 109.817 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 37' ' ' VAL . 33.3 mm -102.97 125.09 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.81 0.338 . . . . 72.42 110.704 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.493 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 20.5 t70 -122.87 127.0 48.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 73.24 109.621 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 66.06 -75.83 0.05 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.851 0.72 . . . . 65.31 111.005 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -163.8 19.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 73.31 110.845 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.612 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -139.8 156.22 46.86 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.916 -0.314 . . . . 75.25 110.319 178.153 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' A' ' 32' ' ' ILE . 7.1 p -87.75 133.82 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.903 0.382 . . . . 72.21 110.749 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.612 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.1 pt -122.84 156.25 28.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.102 0.477 . . . . 75.22 111.884 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 HG21 ' CD1' ' A' ' 28' ' ' ILE . 1.5 p -84.24 109.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.397 -0.82 . . . . 71.33 109.841 172.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.87 -38.54 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.198 -0.456 . . . . 74.31 111.221 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -134.57 127.99 32.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.129 0.49 . . . . 72.54 111.802 -174.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.43 95.53 4.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.194 -0.912 . . . . 63.44 108.911 171.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.75 135.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.042 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.777 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 6.3 t -98.98 160.23 14.41 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.146 -0.687 . . . . 54.33 109.146 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HB2' HG13 ' A' ' 50' ' ' ILE . 27.0 pt20 -67.43 -26.75 66.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.225 0.536 . . . . 75.31 109.975 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.98 -52.04 64.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.464 -0.789 . . . . 73.43 111.35 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.445 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -75.09 -17.8 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 75.42 111.998 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.6 pp -91.5 -14.02 31.15 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.629 -0.428 . . . . 75.23 111.481 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.63 38.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.128 -1.034 . . . . 75.33 113.576 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.552 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.7 mm -122.1 159.58 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.164 -0.68 . . . . 74.51 109.164 177.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 50' ' ' ILE . 3.3 m -65.99 -73.15 0.14 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.223 0.453 . . . . 75.44 112.223 -173.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.02 -108.33 0.21 Allowed Glycine 0 CA--C 1.522 0.494 0 C-N-CA 119.403 -1.38 . . . . 74.44 114.474 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' OE2' ' A' ' 24' ' ' GLU . 3.2 m-20 -59.99 138.22 57.9 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.115 0.566 . . . . 74.02 112.413 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -49.35 -62.62 1.44 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 72.22 112.935 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.868 ' HD1' ' HE2' ' A' ' 60' ' ' LYS . 37.2 t80 -120.64 -23.4 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.857 -0.337 . . . . 75.02 110.56 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.93 -28.55 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.288 0.566 . . . . 65.02 110.086 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 58' ' ' SER . 17.7 t70 -118.72 -21.59 7.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.469 -0.787 . . . . 62.21 109.923 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 75.6 m 76.32 94.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.949 0.9 . . . . 42.13 111.123 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.466 ' HB2' HG21 ' A' ' 50' ' ' ILE . 36.9 p -134.88 -19.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.524 -0.762 . . . . 64.15 112.144 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.868 ' HE2' ' HD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -51.79 -21.42 2.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.397 0.279 . . . . 73.23 111.533 -179.022 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HA ' ' NE2' ' A' ' 151' ' ' HIS . . . -42.79 -26.87 0.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.955 0.502 . . . . 73.45 112.15 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.45 -33.52 63.69 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.62 0.368 . . . . 73.33 111.685 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.429 ' O ' HG12 ' A' ' 67' ' ' VAL . 66.1 m-85 -64.44 -25.51 68.04 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.303 -0.248 . . . . 74.11 111.334 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.77 -37.04 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 73.52 111.182 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 18.4 ptmt -87.63 -30.56 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.479 -0.328 . . . . 74.21 110.919 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.18 -36.28 69.21 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.101 0.408 . . . . 73.2 112.101 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 31.2 m -60.08 -37.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.951 0.405 . . . . 74.02 110.58 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 1.9 mt-10 -79.0 -35.28 43.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 74.24 110.174 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.559 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 8.0 t70 -53.33 -52.75 58.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 73.25 109.634 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.86 -44.97 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.335 -0.848 . . . . 61.22 112.075 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.52 -20.74 60.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.523 -0.471 . . . . 74.24 112.022 -173.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 m -73.75 -44.3 56.61 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.961 -0.295 . . . . 74.34 111.102 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -84.16 -6.74 59.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.395 0.517 . . . . 74.31 112.395 -176.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.708 ' HB ' ' HA ' ' A' ' 78' ' ' THR . 6.4 p -88.41 -12.49 43.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.362 . . . . 74.25 110.403 174.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t70 64.84 -81.2 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.063 -0.971 . . . . 75.41 112.242 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -154.1 -34.13 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 73.14 110.229 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.66 -29.09 69.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.28 -0.418 . . . . 74.23 110.512 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.708 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 19.5 m 61.27 94.62 0.04 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 124.036 0.835 . . . . 72.34 112.556 173.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -80.1 146.56 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 73.23 108.911 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.696 ' SG ' ' HG3' ' A' ' 119' ' ' LYS . 29.5 m -91.1 151.62 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.87 0.367 . . . . 75.22 110.667 -174.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.83 ' HB2' HD13 ' A' ' 109' ' ' ILE . 2.4 mmp_? -126.23 145.94 50.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.12 -0.326 . . . . 74.42 110.12 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.643 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -128.95 144.63 51.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.406 -0.961 . . . . 64.43 108.406 172.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.62 163.06 21.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.658 0.266 . . . . 71.52 110.787 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.757 HG23 ' HE2' ' A' ' 30' ' ' PHE . 39.8 t -129.56 123.83 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 71.42 109.777 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -130.12 146.48 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.995 -0.372 . . . . 71.2 109.995 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.769 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 12.4 t70 -101.1 103.98 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.294 -0.632 . . . . 74.33 109.294 170.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.32 113.76 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 75.11 111.053 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -91.22 108.55 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 74.12 109.566 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.773 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 10.5 p90 -128.0 177.1 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.257 -0.428 . . . . 72.34 110.254 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 1.055 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 41.5 p -115.34 123.28 48.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.991 0.424 . . . . 74.24 110.077 177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 30.8 t -97.12 139.3 33.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.327 -0.397 . . . . 54.33 110.264 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 m -72.58 101.48 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 71.2 110.793 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -81.31 118.74 22.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.298 -0.63 . . . . 75.24 109.298 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 113.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 74.4 111.138 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.01 -7.11 62.43 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.851 -0.613 . . . . 74.42 112.04 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.78 -161.18 1.11 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.827 0.346 . . . . 73.34 110.438 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.78 -164.02 30.21 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.847 -0.692 . . . . 74.23 112.678 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 1.055 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.8 p -75.34 118.11 17.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.21 0.529 . . . . 71.43 111.065 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -85.99 123.77 31.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.199 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.58 ' HD3' HG23 ' A' ' 90' ' ' THR . 1.7 mppt? -72.93 110.19 7.05 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.167 0.508 . . . . 73.15 110.131 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.3 mtt -117.63 107.44 14.23 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.412 -0.813 . . . . 71.41 110.786 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -95.54 128.33 42.31 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.455 -0.793 . . . . 72.42 108.878 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 1.014 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -157.66 110.69 2.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.404 -0.518 . . . . 74.15 111.429 -176.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.769 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 18.8 tt -71.47 125.22 29.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 63.52 110.143 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.599 HG23 HD11 ' A' ' 158' ' ' LEU . 20.7 pt -130.8 157.58 43.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.183 0.516 . . . . 74.25 111.931 -175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.639 ' CE1' HG22 ' A' ' 138' ' ' ILE . 13.7 m-85 -95.97 128.87 43.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.068 -0.969 . . . . 73.5 111.369 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 109' ' ' ILE . 6.5 tt -103.61 114.76 29.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.307 -0.861 . . . . 73.34 110.653 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.689 HE21 ' HB2' ' A' ' 110' ' ' CYS . 39.9 tp60 -110.55 108.08 17.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.549 . . . . 73.13 110.253 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.83 HD13 ' HB2' ' A' ' 81' ' ' ARG . 53.5 mt -87.38 105.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 72.12 109.669 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.689 ' HB2' HE21 ' A' ' 108' ' ' GLN . 22.3 t -125.49 90.04 51.4 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.937 -0.574 . . . . 74.51 109.919 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.42 175.29 4.3 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.06 2.507 . . . . 73.43 112.488 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.63 -55.84 2.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.639 -0.504 . . . . 62.25 109.639 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.08 61.07 4.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.306 -0.718 . . . . 74.32 111.306 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.81 178.85 6.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.543 -0.328 . . . . 75.55 110.354 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 26.4 m -68.82 88.61 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.019 -0.537 . . . . 74.24 110.363 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 84.8 mt -58.04 -32.35 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 73.13 112.333 -174.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.38 -50.47 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.629 0.233 . . . . 71.34 111.629 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.516 ' HE2' ' HE2' ' A' ' 122' ' ' TYR . 18.9 ptmt -86.02 -21.35 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.214 -0.595 . . . . 61.43 110.275 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.696 ' HG3' ' SG ' ' A' ' 80' ' ' CYS . 19.4 ttpp -63.85 -36.25 83.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.448 -0.575 . . . . 73.12 109.448 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.5 ' HE3' ' HA ' ' A' ' 2' ' ' SER . 1.5 tmt? -64.22 -37.27 86.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.2 -0.909 . . . . 72.31 109.688 176.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.74 -48.23 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 73.32 110.131 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.516 ' HE2' ' HE2' ' A' ' 118' ' ' LYS . 65.9 m-85 -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.243 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.07 80.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 73.43 110.83 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -75.14 -33.36 61.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.905 -0.589 . . . . 75.42 110.241 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.4 m -68.14 -27.83 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 64.12 110.976 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -57.99 -34.45 70.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.264 -0.426 . . . . 70.22 110.748 177.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.45 -43.64 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 74.34 110.611 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.46 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.329 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.058 -0.519 . . . . 71.43 111.005 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 126' ' ' ALA . 7.0 ptmt -73.35 -26.82 61.18 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.67 -0.412 . . . . 75.22 110.766 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 46.2 m -74.3 -30.79 62.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.064 0.459 . . . . 72.34 110.08 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.3 t -68.6 -47.54 66.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 73.22 111.098 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.502 HD22 HG12 ' A' ' 11' ' ' VAL . 48.0 mt -91.8 -28.3 17.44 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.68 -0.408 . . . . 64.35 111.171 -176.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 -80.6 0.16 Allowed Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.936 -0.575 . . . . 75.11 112.944 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.473 HG21 HG23 ' A' ' 138' ' ' ILE . 9.0 m 58.67 -77.81 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.886 0.875 . . . . 72.44 112.305 -174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.54 -30.89 8.1 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.262 -0.494 . . . . 62.53 112.259 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -102.39 70.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.234 -0.654 . . . . 74.43 109.234 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.639 HG22 ' CE1' ' A' ' 106' ' ' PHE . 7.6 pt -143.06 157.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.569 -0.741 . . . . 74.2 111.36 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.462 ' H ' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -118.73 98.41 6.21 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.15 -1.055 . . . . 74.22 108.15 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.43 105.95 18.16 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.36 -0.607 . . . . 72.3 109.36 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.482 ' HD1' HG12 ' A' ' 143' ' ' VAL . 51.8 p90 -104.13 148.34 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 74.44 111.125 -176.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -110.58 117.78 34.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 73.1 110.047 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.482 HG12 ' HD1' ' A' ' 141' ' ' PHE . 29.9 m -111.71 134.77 53.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.37 -0.377 . . . . 72.42 110.429 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.5 m -108.96 -3.26 17.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.89 0.376 . . . . 72.03 110.963 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -150.53 157.46 43.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.419 . . . . 74.51 110.532 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.545 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 6.4 pt-20 -64.28 -26.47 68.51 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 123.264 0.353 . . . . 52.42 111.179 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.2 t -67.51 -23.77 65.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.317 . . . . 70.34 110.553 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.621 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 42.8 mt-10 -83.96 -8.0 59.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 73.24 111.348 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.32 21.61 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.692 0.758 . . . . 74.33 109.815 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -81.62 170.73 15.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.014 -0.994 . . . . 54.02 110.964 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' ' 61' ' ' ALA . 62.4 m80 -41.97 -55.77 3.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.47 0.708 . . . . 74.34 112.283 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.63 -54.53 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 74.25 112.399 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.621 ' HG3' ' HA ' ' A' ' 148' ' ' GLU . 82.0 mm-40 -57.08 -43.48 82.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.047 0.758 . . . . 74.45 113.047 -168.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.52 -42.64 99.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.723 -0.391 . . . . 65.5 110.481 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.23 -36.29 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 74.1 110.013 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.2 -52.54 61.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 72.44 110.415 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -60.7 -52.31 65.66 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.613 0.721 . . . . 72.21 110.909 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' A' ' 103' ' ' LYS . 41.2 tp -71.24 -10.26 59.46 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.661 -1.154 . . . . 64.31 111.389 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.27 -48.2 2.88 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.636 -0.793 . . . . 71.23 112.867 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.67 -15.68 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.543 0.942 . . . . 64.14 113.543 -171.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.864 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -65.41 -30.33 71.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.953 0.406 . . . . 74.32 110.952 -177.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.864 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.3 m-85 -124.7 12.12 8.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.565 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.98 174.67 33.02 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.876 -0.678 . . . . 72.4 111.885 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.6 112.69 24.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.006 0.431 . . . . 72.11 110.311 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.1 p80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.448 -0.787 . . . . 74.35 110.211 -177.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HE1' HD22 ' A' ' 35' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.901 -0.407 . . . . 75.14 109.901 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 1' ' ' MET . 13.3 m -72.87 -19.84 61.21 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.313 0.578 . . . . 75.25 110.893 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -83.83 9.05 12.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.725 -0.671 . . . . 71.41 109.535 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 174.24 38.15 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.546 -0.752 . . . . 74.51 111.43 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.725 HG13 ' HB3' ' A' ' 125' ' ' SER . 98.0 t -119.34 150.21 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.981 -0.748 . . . . 75.52 108.981 174.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.607 ' HB2' ' HB2' ' A' ' 36' ' ' LYS . 47.2 mtt -98.13 156.2 16.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.242 -0.651 . . . . 74.14 109.242 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 37' ' ' VAL . 6.3 p -138.61 123.84 22.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.846 0.355 . . . . 75.41 111.118 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 128.47 93.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.514 -0.55 . . . . 71.24 109.514 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.89 -15.99 29.76 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.11 2.54 . . . . 70.53 113.628 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.88 -21.41 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.949 0.404 . . . . 74.21 110.741 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 129' ' ' ILE . 99.7 t -60.19 -44.74 96.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.813 -0.44 . . . . 74.31 109.813 174.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.0 mt-30 -67.2 -37.32 83.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 72.5 110.309 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -59.79 -35.4 74.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.243 0.544 . . . . 74.34 110.127 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.672 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . 49.5 m -69.69 -30.45 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.661 -0.699 . . . . 54.14 110.624 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.704 ' HE1' HG12 ' A' ' 84' ' ' VAL . 45.5 m-85 -73.99 -36.01 64.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.086 0.469 . . . . 72.42 110.293 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 15.5 mm100 -67.68 -41.65 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 71.3 111.428 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.672 ' CD ' ' HA ' ' A' ' 14' ' ' SER . 16.0 ptmt -67.48 -23.59 65.5 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.876 0.369 . . . . 74.42 111.271 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.583 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 5.8 tt -78.58 -39.81 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.364 -0.606 . . . . 71.44 109.364 173.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -65.23 -31.14 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.396 -0.82 . . . . 71.44 111.209 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 54.8 mt-10 -57.58 -41.74 81.74 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.36 0.6 . . . . 62.4 110.104 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.18 -115.96 0.47 Allowed Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.215 -0.902 . . . . 74.44 112.961 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.0 mmt180 -113.43 -4.52 13.59 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.183 0.438 . . . . 75.44 112.183 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 10.0 mtmp? 75.15 -55.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.936 0.772 . . . . 75.4 109.746 -164.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 4.0 mp0 -71.18 2.18 4.97 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.357 0.599 . . . . 72.12 110.483 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.6 t80 -98.69 124.74 43.71 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.605 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 47.8 mtt180 71.27 160.71 0.22 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.921 0.763 . . . . 73.01 111.979 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -138.49 144.91 40.23 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.297 -0.865 . . . . 72.11 109.176 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG21 ' HB ' ' A' ' 84' ' ' VAL . 3.7 tp -110.14 123.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.437 0.637 . . . . 73.52 111.195 -172.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 mm -115.26 132.95 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.086 -0.961 . . . . 73.02 108.949 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HA ' ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -139.83 152.19 46.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.226 0.536 . . . . 75.51 111.706 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.878 ' HE3' ' HB3' ' A' ' 81' ' ' ARG . 1.9 tptm -122.62 164.68 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.266 -0.879 . . . . 75.54 110.439 -171.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 HG13 ' A' ' 121' ' ' VAL . 28.4 mm -94.9 121.86 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.968 0.413 . . . . 64.55 110.501 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 30.4 t70 -112.47 116.81 30.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.893 -0.594 . . . . 74.12 109.407 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 64.11 -82.61 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.672 0.608 . . . . 71.24 110.614 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.591 HD22 ' HE1' ' A' ' 1' ' ' MET . 0.3 OUTLIER -150.41 20.19 0.84 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.75 0.309 . . . . 74.41 110.572 179.467 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.694 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -137.33 159.58 41.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.06 0.457 . . . . 70.41 111.07 177.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' HB ' HG23 ' A' ' 7' ' ' VAL . 30.0 t -87.37 129.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 75.1 111.134 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.694 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.5 pt -127.19 149.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.0 175.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 6.2 p -67.11 131.8 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.723 0.297 . . . . 72.3 110.409 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' H ' ' HA ' ' A' ' 30' ' ' PHE . 31.2 tt0 -99.48 -47.42 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.134 -0.321 . . . . 75.44 110.134 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.53 142.15 22.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.758 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.64 80.52 1.81 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.18 0.514 . . . . 73.43 109.921 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -129.51 161.5 38.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 65.12 110.55 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 6.4 t -105.03 158.19 16.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.893 0.377 . . . . 72.12 110.515 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -79.29 -24.2 43.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.316 -0.402 . . . . 72.21 110.488 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.79 -17.53 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.601 -0.272 . . . . 73.24 111.262 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 44' ' ' THR . 11.1 pt20 -86.93 -33.4 19.7 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.979 -0.288 . . . . 72.55 111.218 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 HD12 HG12 ' A' ' 50' ' ' ILE . 4.4 pp -81.15 -29.2 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.877 -0.329 . . . . 74.12 111.095 -174.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.57 45.81 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.216 -0.992 . . . . 71.32 113.03 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 59' ' ' SER . 48.4 mm -116.56 153.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.189 -0.671 . . . . 74.44 109.189 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -66.29 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.915 0.709 . . . . 63.43 112.915 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.71 -86.31 0.08 OUTLIER Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.48 -0.867 . . . . 63.53 112.006 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 19.3 m-20 -73.52 121.9 21.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.705 -0.85 . . . . 73.22 108.705 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' SER . 18.0 t70 -48.83 -65.32 0.59 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.342 0.867 . . . . 64.5 113.342 -166.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 1.052 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 36.7 t80 -96.07 -28.82 14.43 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.472 -0.767 . . . . 73.41 111.168 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.68 -37.03 76.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.658 -0.247 . . . . 65.01 111.376 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 57.5 m-20 -85.06 17.93 2.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.544 0.211 . . . . 74.34 110.637 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.2 p 52.78 36.39 21.19 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.679 0.792 . . . . 74.5 111.117 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 3.9 m -90.91 12.22 20.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 62.24 110.254 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.28 10.43 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.853 -0.612 . . . . 72.22 111.395 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.61 -26.93 5.94 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.187 -0.461 . . . . 71.5 111.176 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -59.45 -52.68 64.57 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.52 -0.309 . . . . 65.22 110.3 175.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.418 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 36.0 m-85 -69.74 -28.27 65.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 71.53 110.408 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.532 ' O ' HG21 ' A' ' 67' ' ' VAL . 26.2 t70 -68.17 -35.81 78.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.576 -0.738 . . . . 63.32 110.582 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 20.5 ptmt -86.73 -20.76 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.552 -0.294 . . . . 54.04 111.098 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -63.71 -28.91 70.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.559 0.219 . . . . 74.33 111.093 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.954 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 8.8 m -63.22 -27.46 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 70.54 110.258 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 17.4 mt-10 -81.51 -38.11 26.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.781 -0.451 . . . . 64.35 109.781 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.24 -43.44 64.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.033 -0.53 . . . . 70.44 110.231 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG23 ' SD ' ' A' ' 149' ' ' MET . 96.3 t -65.73 -61.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.399 -0.819 . . . . 75.11 111.234 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 57.0 pttt -66.05 -20.82 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.524 0.565 . . . . 73.34 112.524 -172.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.9 t -65.45 -56.89 9.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.159 -0.216 . . . . 41.0 111.067 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -86.01 -17.47 35.17 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.457 0.539 . . . . 75.42 112.457 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 79' ' ' ASP . 12.1 p -70.62 -25.27 62.95 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 74.53 111.914 -176.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 74' ' ' THR . 15.5 t70 68.88 -64.96 0.3 Allowed 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.775 0.672 . . . . 73.24 110.281 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -145.47 61.74 1.28 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.347 -0.612 . . . . 73.55 109.347 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt 53.08 33.94 16.1 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.528 -0.76 . . . . 74.12 111.953 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -82.63 -31.05 28.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.85 0.357 . . . . 71.24 110.837 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.833 ' HB3' HG23 ' A' ' 74' ' ' THR . 7.6 t70 -77.85 141.8 38.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.479 . . . . 61.53 110.305 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.75 136.19 19.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.784 -0.821 . . . . 74.01 108.784 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.878 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 4.7 ptt180 -156.32 177.13 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.186 0.517 . . . . 73.43 112.119 -171.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -110.42 128.49 55.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.062 -0.972 . . . . 73.13 110.157 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 85' ' ' PHE . . . -128.7 129.84 46.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.992 -0.549 . . . . 73.42 109.628 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.704 HG12 ' HE1' ' A' ' 15' ' ' PHE . 59.1 t -122.7 122.11 65.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 120.873 0.368 . . . . 74.41 110.183 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 48.0 m-85 -128.62 134.37 48.55 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.653 -0.703 . . . . 73.23 109.388 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.605 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.4 t70 -94.23 98.3 10.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.683 -1.599 . . . . 74.33 106.683 164.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.694 ' CE1' ' HG ' ' A' ' 158' ' ' LEU . 4.6 p90 -98.81 128.01 44.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.444 0.64 . . . . 71.51 110.333 -171.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 33.4 ttmt -98.73 108.41 21.1 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.676 -0.693 . . . . 61.15 109.926 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 1.052 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.4 p90 -110.86 -175.41 2.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.27 -0.877 . . . . 70.01 109.506 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.5 p -112.74 121.86 45.96 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.2 0.524 . . . . 71.33 109.727 173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.9 t -96.33 134.19 39.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.814 -0.63 . . . . 71.01 109.605 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 m -65.88 114.6 5.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.589 . . . . 73.33 110.221 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.572 ' CG ' ' HB2' ' A' ' 96' ' ' ALA . 28.6 tpt180 -91.35 109.25 20.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.648 -0.706 . . . . 75.32 109.316 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.12 112.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 74.22 111.088 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 7.61 62.47 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.797 -0.638 . . . . 64.53 112.457 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.572 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . . . -148.86 -159.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.564 0.221 . . . . 71.34 110.714 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.68 175.52 22.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.88 -0.676 . . . . 74.13 112.615 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 p -53.1 129.57 31.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 74.15 111.838 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -115.37 123.43 48.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.211 -0.449 . . . . 75.3 110.247 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -71.82 129.65 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 72.4 110.4 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.6 tpp -141.1 138.97 33.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.622 -0.717 . . . . 74.33 110.529 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.7 p30 -109.81 149.9 29.15 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.64 -0.709 . . . . 72.44 109.822 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 1.06 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.81 134.91 3.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.509 . . . . 74.15 111.148 172.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.605 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 11.4 tt -75.98 124.2 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 74.12 110.88 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.503 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.7 pt -117.26 137.91 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.231 0.539 . . . . 73.51 111.421 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.525 ' HZ ' HD23 ' A' ' 133' ' ' LEU . 33.4 m-85 -94.12 103.49 15.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.505 -0.771 . . . . 75.43 110.533 174.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.674 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 4.4 tt -90.9 101.86 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.272 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 142' ' ' GLN . 14.0 tp60 -89.02 102.8 15.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.953 -0.567 . . . . 75.04 110.072 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.727 HD11 ' HG3' ' A' ' 81' ' ' ARG . 59.8 mt -76.83 95.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.612 -0.885 . . . . 75.21 108.612 172.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.74 98.16 13.55 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.077 -0.51 . . . . 73.53 110.211 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB3' ' A' ' 114' ' ' ALA . 19.7 Cg_exo -66.21 116.32 3.96 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.451 2.1 . . . . 74.34 110.154 171.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.585 ' HA ' ' NZ ' ' A' ' 119' ' ' LYS . 22.7 t70 -64.73 -41.96 95.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.475 -0.33 . . . . 71.41 111.109 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.02 44.39 2.98 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.871 -0.68 . . . . 72.41 112.202 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 111' ' ' PRO . . . -110.93 177.44 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.59 0.233 . . . . 71.31 111.125 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.586 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 40.4 m -46.99 105.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.209 0.943 . . . . 73.25 111.789 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.73 -38.59 72.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.651 0.611 . . . . 74.5 112.651 -170.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.795 0.331 . . . . 74.13 111.426 -174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.727 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -84.76 -23.02 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.894 -0.322 . . . . 74.33 111.144 -178.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.585 ' NZ ' ' HA ' ' A' ' 112' ' ' ASP . 1.5 tmtp? -71.68 -32.29 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.533 -0.543 . . . . 72.24 109.533 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.0 ttt -63.63 -36.85 85.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 62.31 110.182 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 32' ' ' ILE . 44.5 t -63.9 -48.7 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 74.31 110.159 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -63.26 -32.32 73.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.265 -0.425 . . . . 75.55 111.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.88 67.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.822 0.344 . . . . 72.35 110.67 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -83.18 -39.87 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.761 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.725 ' HB3' HG13 ' A' ' 5' ' ' VAL . 4.4 p -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.492 -0.322 . . . . 73.31 111.51 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.52 81.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.98 0.419 . . . . 75.21 110.422 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.51 -24.01 39.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 74.52 110.806 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.46 51.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.471 -0.331 . . . . 72.14 111.293 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 11' ' ' VAL . 5.6 tp -63.4 -37.26 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.499 -0.319 . . . . 75.55 111.457 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.96 -35.53 69.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 74.21 110.493 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.0 m -72.63 -26.99 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.681 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.7 m -65.86 -52.33 51.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.223 -0.444 . . . . 64.32 110.112 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.525 HD23 ' HZ ' ' A' ' 106' ' ' PHE . 10.7 mp -72.87 -26.3 61.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.295 -0.411 . . . . 74.14 111.677 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.19 46.0 63.21 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.228 -0.511 . . . . 73.12 112.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 m -85.62 -48.85 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 72.3 111.224 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.6 -30.56 4.5 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.006 -0.616 . . . . 63.03 114.058 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 59.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.688 0.756 . . . . 75.22 111.517 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -114.21 146.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.316 -0.856 . . . . 73.34 110.368 176.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.27 99.09 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.432 -0.951 . . . . 74.23 108.432 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.25 123.96 49.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.313 -0.858 . . . . 72.21 109.65 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.674 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 32.2 p90 -130.93 139.2 50.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.783 0.325 . . . . 74.01 111.138 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 108' ' ' GLN . 96.6 mt-30 -102.3 113.05 26.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.524 . . . . 75.14 109.691 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.473 HG12 ' HD2' ' A' ' 141' ' ' PHE . 31.5 m -120.52 149.88 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.263 -0.426 . . . . 75.32 111.083 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 50.2 m -110.23 -53.34 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.368 -0.378 . . . . 63.25 111.447 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -85.41 158.67 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.54 111.609 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.954 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 13.9 pt-20 -60.11 -33.59 72.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 74.11 111.364 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 m -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.197 0.523 . . . . 73.41 110.653 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.47 ' HB2' ' HB ' ' A' ' 143' ' ' VAL . 9.0 mm-40 -71.15 -29.29 65.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 75.44 110.853 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.462 ' HB3' HG23 ' A' ' 143' ' ' VAL . 23.2 ptp -102.35 11.97 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.018 -0.537 . . . . 75.53 110.862 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 60.3 m -75.38 152.66 38.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.804 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 63' ' ' PHE . 28.9 p80 -57.24 -29.17 63.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.873 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -56.37 -50.51 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.882 0.372 . . . . 74.33 110.874 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 64.7 mm-40 -75.31 -30.56 60.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 73.43 111.211 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 30.3 mt -57.09 -43.77 82.5 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.015 -0.274 . . . . 72.32 110.304 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.1 tt -68.89 -44.39 73.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.238 -0.437 . . . . 72.21 109.832 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.472 HD21 ' HD3' ' A' ' 157' ' ' LYS . 8.8 t30 -60.01 -51.25 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.771 -0.65 . . . . 63.11 111.716 -176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 69.1 mmtt -64.23 -43.75 93.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.371 0.605 . . . . 71.53 109.77 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.694 ' HG ' ' CE1' ' A' ' 87' ' ' PHE . 3.6 mm? -66.71 -10.82 50.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.078 -0.965 . . . . 73.24 112.036 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.81 -55.01 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.707 -0.759 . . . . 73.03 112.124 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.547 ' HB2' ' HA ' ' A' ' 165' ' ' HIS . 8.2 pt-20 -64.85 -22.13 66.93 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.64 0.607 . . . . 74.41 112.64 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -56.48 -41.35 76.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.696 0.284 . . . . 73.32 110.758 -175.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.721 ' H ' ' HD3' ' A' ' 161' ' ' LYS . 39.8 m-85 -124.2 14.13 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 75.34 111.784 174.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -111.02 -132.8 6.17 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.614 -0.994 . . . . 64.1 110.614 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.63 105.45 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.973 -0.751 . . . . 72.42 108.973 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 160' ' ' GLU . 57.4 t-80 . . . . . 0 N--CA 1.437 -1.096 0 CA-C-O 118.211 -0.9 . . . . 54.44 109.807 -172.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' H1 ' ' HB3' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -78.87 73.16 5.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.19 0.519 . . . . 72.14 111.975 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -99.66 -12.57 19.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.872 -0.604 . . . . 72.13 110.175 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 69.59 0.95 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.636 -0.793 . . . . 73.24 111.691 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.55 123.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.886 0.374 . . . . 75.24 110.091 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.542 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 22.8 ptm -99.45 171.29 8.04 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.459 -0.571 . . . . 74.54 109.459 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.636 HG22 ' HB ' ' A' ' 37' ' ' VAL . 7.4 p -130.05 131.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 120.974 -0.29 . . . . 71.31 110.798 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -56.24 124.9 62.91 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.612 -0.514 . . . . 72.32 109.612 171.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 8' ' ' ASP . 67.3 Cg_exo -52.77 -26.41 30.34 Favored 'Trans proline' 0 N--CA 1.472 0.235 0 C-N-CA 123.526 2.817 . . . . 73.11 114.32 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB3' HG13 ' A' ' 39' ' ' VAL . 24.7 t70 -66.3 -24.44 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.658 0.266 . . . . 73.34 111.345 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG13 ' CE2' ' A' ' 15' ' ' PHE . 59.8 t -60.27 -48.75 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.641 -0.503 . . . . 75.22 109.641 175.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 51.1 mt-30 -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 73.2 110.765 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -60.19 -40.82 91.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 74.41 110.451 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.789 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 54.0 m -64.73 -39.72 94.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.941 -0.572 . . . . 74.21 110.64 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 35.7 m-85 -58.89 -41.07 86.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.06 0.457 . . . . 73.33 110.55 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.97 -54.51 29.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.267 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.789 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 52.1 pttt -67.32 -17.84 64.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.704 0.261 . . . . 73.04 111.704 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 27' ' ' TYR . 9.5 tt -76.19 -61.26 2.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 75.34 110.06 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.6 -34.22 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 72.52 110.918 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -85.55 -5.67 59.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 73.23 110.028 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.1 -102.18 0.74 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.049 -0.82 . . . . 54.41 111.049 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.703 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . 23.6 mmt180 -112.25 -71.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.623 -0.431 . . . . 75.44 110.072 174.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.7 mmtp -177.49 -77.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.456 1.102 . . . . 73.24 108.92 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 4.9 mp0 -80.16 16.57 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.015 0.436 . . . . 75.35 110.465 174.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.703 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -93.7 123.17 36.85 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.337 -0.616 . . . . 74.0 109.337 -178.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.676 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 41.92 114.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.974 1.422 . . . . 72.42 112.505 -167.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.778 ' HA ' HD12 ' A' ' 18' ' ' LEU . 10.2 p90 -107.85 166.46 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.431 -0.804 . . . . 74.24 110.717 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.705 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -109.91 120.0 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.479 0.657 . . . . 71.14 111.626 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.474 ' HB ' ' HB1' ' A' ' 41' ' ' ALA . 38.3 mm -115.39 116.54 52.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.342 -0.844 . . . . 74.11 109.265 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.705 ' HD1' HG13 ' A' ' 28' ' ' ILE . 11.5 p90 -134.93 157.99 45.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 73.43 111.698 -174.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.988 ' HG2' HH11 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -136.97 173.48 11.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 75.12 109.991 -176.572 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.424 HD12 HG23 ' A' ' 37' ' ' VAL . 35.5 mm -105.17 118.23 52.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.014 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -134.3 151.56 51.32 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.359 -0.978 . . . . 73.32 108.359 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.23 -99.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.524 -0.547 . . . . 74.53 109.524 -171.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -146.13 20.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 73.32 110.404 176.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.78 171.82 13.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 72.12 111.617 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.636 ' HB ' HG22 ' A' ' 7' ' ' VAL . 40.6 t -81.98 129.08 38.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.5 -0.773 . . . . 75.42 110.384 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.582 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 44.2 pt -118.06 139.83 43.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 74.14 110.739 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 10' ' ' ASP . 3.3 p -86.51 129.04 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 73.33 109.889 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' CD ' ' HZ2' ' A' ' 31' ' ' LYS . 36.7 tt0 -111.38 -45.54 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.925 0.393 . . . . 75.33 110.839 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.474 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -135.83 135.81 40.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.937 0.399 . . . . 71.31 111.406 -176.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.619 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -143.92 74.43 1.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.301 -0.863 . . . . 73.21 109.497 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 29.1 m -132.48 166.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.76 . . . . 73.41 110.247 -176.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.696 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 12.1 t -98.63 150.25 21.95 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.749 0.309 . . . . 73.13 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -71.1 -20.45 62.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.047 0.451 . . . . 63.42 110.078 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.629 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 6.4 t70 -65.85 -27.95 68.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.721 . . . . 71.52 111.518 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.696 ' HG2' ' O ' ' A' ' 44' ' ' THR . 20.0 pt20 -89.86 -12.73 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.695 0.258 . . . . 75.21 111.695 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.8 -5.96 23.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.65 -0.42 . . . . 75.54 111.553 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.82 2.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.063 -1.065 . . . . 72.14 113.508 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.629 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 14.7 mm -82.16 164.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.428 -0.582 . . . . 71.44 109.428 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' H ' HG21 ' A' ' 50' ' ' ILE . 21.3 p -80.22 -50.58 10.05 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.305 0.854 . . . . 72.54 113.305 -171.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.96 -83.93 0.11 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 119.626 -1.273 . . . . 64.31 114.067 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.674 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 5.1 m-20 -70.79 132.25 45.04 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.703 0.26 . . . . 72.23 111.703 -172.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.22 -65.91 0.54 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.932 0.715 . . . . 74.32 112.932 -170.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.703 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 57.7 t80 -109.49 -18.86 13.43 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.764 -0.585 . . . . 74.55 110.336 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.674 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 28.4 t70 -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.906 -0.588 . . . . 64.33 110.243 177.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -113.68 3.81 15.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.275 0.559 . . . . 74.25 110.05 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m 66.0 38.18 5.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.424 -0.807 . . . . 72.02 112.234 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.481 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 49.7 m -79.46 -12.08 59.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 74.11 111.409 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.479 ' CG ' ' HB2' ' A' ' 151' ' ' HIS . 12.5 pttm -55.4 -23.45 24.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.188 -0.46 . . . . 74.43 111.214 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.6 -29.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.007 -0.542 . . . . 71.11 111.121 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.91 -36.72 72.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.04 -0.527 . . . . 74.25 111.663 176.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.585 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 81.2 m-85 -65.89 -22.85 66.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.822 0.344 . . . . 65.54 111.407 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.641 ' HB2' ' CD2' ' A' ' 151' ' ' HIS . 8.6 t70 -69.95 -46.78 64.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.076 -0.511 . . . . 73.04 111.289 -174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HZ2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -72.29 -17.64 61.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 75.03 111.661 -174.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.498 ' O ' HG21 ' A' ' 70' ' ' VAL . 28.6 m-85 -84.65 -28.53 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.217 0.451 . . . . 72.53 112.217 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 64' ' ' ASP . 21.4 m -61.04 -23.9 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.957 0.408 . . . . 72.45 111.397 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 77.4 mm-40 -74.78 -57.57 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.392 . . . . 74.3 110.431 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.43 -32.86 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 64.22 110.404 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 66' ' ' PHE . 53.7 t -61.39 -53.46 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.608 -0.724 . . . . 72.11 110.985 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.689 ' HD3' ' HG2' ' A' ' 146' ' ' GLU . 18.6 pttm -79.76 -21.03 44.92 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.006 -1.078 . . . . 73.04 111.583 -171.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.0 m -75.55 -30.52 59.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.623 0.249 . . . . 75.32 111.214 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -85.91 -24.54 26.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.913 -0.315 . . . . 75.41 111.066 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.522 HG22 ' HB3' ' A' ' 79' ' ' ASP . 53.9 p -94.78 2.52 55.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.646 -0.252 . . . . 72.2 111.335 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' THR . 22.2 t70 70.4 -64.99 0.34 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.856 0.723 . . . . 74.22 110.325 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -141.89 -77.84 0.26 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 73.34 109.633 175.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -150.13 34.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 71.02 110.634 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -75.48 -24.92 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 72.01 111.274 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.522 ' HB3' HG22 ' A' ' 74' ' ' THR . 31.6 t70 -108.89 144.58 36.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.045 -172.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -139.03 135.76 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.645 . . . . 62.13 110.034 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.988 HH11 ' HG2' ' A' ' 31' ' ' LYS . 26.0 mtt180 -145.47 166.7 24.9 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.71 0.29 . . . . 73.53 111.511 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.639 ' HE2' ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -117.5 128.18 54.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.095 -0.502 . . . . 73.05 109.679 -177.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.48 150.75 47.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.255 -0.276 . . . . 75.02 110.255 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -134.62 130.73 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.931 0.396 . . . . 64.51 111.122 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -137.79 138.45 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.744 -0.662 . . . . 73.42 109.684 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.5 t70 -100.56 99.4 9.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.96 -1.126 . . . . 62.54 107.96 169.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -102.56 143.31 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.907 -0.405 . . . . 73.33 109.907 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 102' ' ' ASP . 9.1 ptpp? -112.88 148.22 35.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.229 0.538 . . . . 71.11 109.967 175.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.703 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.5 p90 -143.81 172.95 12.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.421 -0.809 . . . . 63.01 109.91 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 99' ' ' SER . 19.6 p -134.16 122.72 23.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.085 -0.507 . . . . 75.04 110.831 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.1 m -99.08 131.26 45.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.007 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -74.96 109.17 8.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.312 0.577 . . . . 53.22 109.77 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.803 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 79.9 ttt180 -73.26 142.15 47.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.462 -0.79 . . . . 74.52 110.136 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.51 113.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 71.33 110.746 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.72 10.45 85.14 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.68 -0.691 . . . . 54.24 112.368 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 93' ' ' ARG . . . -138.53 -166.51 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 61.05 111.041 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.6 -144.31 13.59 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.719 -0.753 . . . . 72.22 112.322 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -80.38 140.71 35.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.401 0.62 . . . . 75.42 112.068 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.1 m -118.55 114.95 23.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.495 -0.775 . . . . 65.2 109.16 171.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -82.26 126.4 32.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.021 0.438 . . . . 74.52 110.529 -178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -134.09 140.05 46.36 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.842 -0.799 . . . . 71.0 108.842 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.408 ' HB3' ' CB ' ' A' ' 88' ' ' LYS . 1.5 p30 -130.63 144.59 51.53 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.121 -0.325 . . . . 74.11 110.121 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HB2' ' HE2' ' A' ' 103' ' ' LYS . 8.9 tppt? -160.26 133.6 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.071 0.462 . . . . 75.15 111.161 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 tt -72.21 120.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.444 -0.798 . . . . 73.01 110.576 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 141' ' ' PHE . 32.9 pt -108.34 141.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.016 0.436 . . . . 74.33 110.619 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.557 ' CE2' HG23 ' A' ' 138' ' ' ILE . 29.4 m-85 -95.73 107.08 19.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.936 -0.575 . . . . 75.52 110.181 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 141' ' ' PHE . 27.7 tp -95.32 102.49 14.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.587 -0.733 . . . . 71.03 110.269 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.438 ' OE1' ' HB2' ' A' ' 126' ' ' ALA . 29.1 tt0 -111.61 105.53 14.1 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.613 -0.514 . . . . 71.45 109.613 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.2 mt -89.48 103.57 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.84 -0.8 . . . . 74.42 108.84 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 76.7 m -146.04 99.14 4.32 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 73.32 111.536 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.853 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 32.2 Cg_exo -63.13 147.96 93.7 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.907 2.405 . . . . 73.32 111.217 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.541 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 38.7 t70 -87.01 -32.76 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.424 -0.584 . . . . 74.44 109.424 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.75 34.14 2.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.154 -0.778 . . . . 62.45 111.154 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.853 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.567 . . . . 75.14 110.31 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -57.29 102.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 74.52 110.707 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 75.6 mt -54.18 -39.56 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.235 0.828 . . . . 72.23 113.235 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -62.59 -54.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.745 -0.382 . . . . 75.15 111.355 -175.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -75.06 -28.47 60.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 75.03 110.294 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 34.2 ttpt -59.95 -43.67 94.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.238 0.542 . . . . 74.52 110.028 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.446 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 21.5 mmt -64.37 -32.03 73.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.733 . . . . 71.15 111.339 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 117' ' ' LYS . 26.1 t -73.35 -41.95 57.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.589 -0.278 . . . . 74.13 110.82 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.498 ' CE2' ' HA ' ' A' ' 81' ' ' ARG . 30.7 m-85 -63.26 -35.69 81.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 71.45 111.094 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -28.02 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 62.11 110.835 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.1 m -84.56 -32.88 23.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 72.54 110.832 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 p -68.05 -20.59 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.674 0.274 . . . . 71.21 111.205 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.639 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -56.74 -43.89 81.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.0 0.429 . . . . 70.51 110.467 173.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.23 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 71.42 110.731 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.72 -47.52 75.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 73.4 110.999 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.84 -31.06 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.171 0.51 . . . . 74.32 110.245 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -71.63 -35.52 70.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 75.25 110.472 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.5 m -79.0 -36.37 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.317 -0.401 . . . . 73.34 111.246 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 p -70.82 -29.47 65.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.396 -0.365 . . . . 64.12 111.754 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.512 HD11 ' CD2' ' A' ' 15' ' ' PHE . 9.3 mp -100.95 -25.68 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 73.32 111.018 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.459 ' C ' ' HG1' ' A' ' 135' ' ' THR . . . 81.6 -67.95 3.56 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.366 -0.694 . . . . 51.44 111.366 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.459 ' HG1' ' C ' ' A' ' 134' ' ' GLY . 55.8 p 50.7 -97.04 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.94 0.896 . . . . 55.12 112.83 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.12 88.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.104 -0.57 . . . . 73.11 112.692 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.935 ' HE2' ' HA ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -143.6 38.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 75.02 109.759 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.557 HG23 ' CE2' ' A' ' 106' ' ' PHE . 1.6 pp -102.45 162.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.81 -0.632 . . . . 74.31 111.703 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.87 99.19 7.11 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.626 -0.879 . . . . 74.25 108.626 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.86 128.11 39.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.612 -0.722 . . . . 75.22 109.282 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 107' ' ' LEU . 13.6 p90 -124.35 118.88 27.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.314 0.578 . . . . 75.01 110.104 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 77.1 mt-30 -94.3 114.11 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.45 -0.795 . . . . 65.33 110.027 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.9 170.09 8.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.933 -0.576 . . . . 70.42 110.302 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 p -141.52 -27.01 0.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.899 0.38 . . . . 74.03 111.321 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.578 ' HB3' ' HG3' ' A' ' 148' ' ' GLU . 19.7 t70 -98.7 146.0 26.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.115 -0.493 . . . . 72.13 110.28 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.689 ' HG2' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.32 -17.23 64.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.646 0.61 . . . . 74.45 112.646 -176.019 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 71.1 m -81.55 -16.98 50.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 51.25 110.449 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.578 ' HG3' ' HB3' ' A' ' 145' ' ' ASP . 43.1 mt-10 -81.4 -29.07 34.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.421 . . . . 74.25 110.344 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.467 ' HG2' ' HA ' ' A' ' 146' ' ' GLU . 26.4 ptm -93.66 8.53 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 62.11 110.958 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.2 m -68.88 152.03 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.256 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' A' ' 64' ' ' ASP . 7.0 p80 -64.81 -25.61 67.98 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.877 0.325 . . . . 74.34 111.877 -173.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -58.93 -42.46 89.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.08 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 60.4 mm-40 -80.96 -24.08 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.746 0.647 . . . . 70.04 112.746 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.65 -42.25 87.93 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.467 -0.493 . . . . 75.12 110.081 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 155' ' ' LEU . 7.1 tt -69.6 -39.08 77.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.9 -0.591 . . . . 72.54 109.582 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -62.51 -45.89 90.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.29 -0.414 . . . . 72.34 111.217 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 60.0 mmtt -66.43 -39.86 89.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.989 0.423 . . . . 73.12 111.434 -175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.0 tp -82.43 -31.73 29.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.28 0.562 . . . . 74.05 110.47 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.447 ' HA2' ' HA3' ' A' ' 163' ' ' GLY . . . -76.55 -28.49 59.42 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.366 -0.834 . . . . 23.3 113.764 -174.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.877 ' HG3' ' HD2' ' A' ' 161' ' ' LYS . 6.8 pt-20 -60.64 -45.27 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.644 0.722 . . . . 63.35 111.274 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.877 ' HD2' ' HG3' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -85.96 -69.83 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.741 -0.384 . . . . 74.41 112.025 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -91.82 -4.72 54.54 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.515 0.561 . . . . 73.53 112.515 -170.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.447 ' HA3' ' HA2' ' A' ' 159' ' ' GLY . . . -82.83 -76.75 1.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.309 -0.948 . . . . 73.42 111.519 177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -160.74 141.07 11.33 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.893 -0.41 . . . . 74.21 109.893 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.105 -0.95 . . . . 74.04 109.954 176.543 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 121.119 0.485 . . . . 71.33 110.652 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -76.72 -24.02 53.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.897 -0.592 . . . . 73.13 110.789 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 71.93 1.3 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.488 -0.863 . . . . 73.23 111.993 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG11 ' OG ' ' A' ' 125' ' ' SER . 45.8 t -66.98 130.59 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.961 0.41 . . . . 65.42 111.119 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 ptp -120.01 170.29 9.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.795 -0.638 . . . . 51.55 109.516 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.21 139.14 36.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.869 -0.332 . . . . 74.11 111.24 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.612 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.18 128.63 93.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.205 -0.665 . . . . 45.31 109.205 170.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -45.21 -36.56 12.44 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.675 2.917 . . . . 43.55 114.499 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.79 -16.9 64.23 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.448 0.536 . . . . 65.5 112.448 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 129' ' ' ILE . 79.1 t -58.5 -53.26 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 72.22 110.119 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 43.5 mt-30 -64.38 -37.1 86.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.563 . . . . 73.4 110.862 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 m -59.1 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 72.14 110.805 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 m -67.53 -28.06 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 72.41 110.874 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.664 ' HE1' HG11 ' A' ' 84' ' ' VAL . 20.1 m-85 -77.05 -28.48 54.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 70.51 111.444 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 17.6 mm-40 -64.52 -54.37 33.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 74.52 110.917 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -14.79 61.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.143 -0.481 . . . . 65.13 112.043 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 26' ' ' ARG . 52.9 tp -87.93 -57.31 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.702 -0.481 . . . . 72.52 109.702 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.8 m -59.14 -53.57 56.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 70.4 111.884 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -103.72 12.83 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.905 0.383 . . . . 65.34 111.381 -174.395 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.63 -96.26 0.97 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.286 -0.959 . . . . 42.32 112.984 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.7 mmt180 -70.59 -20.73 62.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 74.41 112.601 -174.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 19.9 mtpp 70.82 -86.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.69 0.619 . . . . 72.11 111.993 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -108.72 17.87 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 73.52 110.882 -172.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -130.71 137.57 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.615 -0.434 . . . . 73.23 111.393 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.831 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 29.7 mtt180 66.26 115.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.039 -0.982 . . . . 71.1 110.52 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -111.99 178.67 4.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 72.3 111.955 -167.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.539 HG13 ' CD1' ' A' ' 30' ' ' PHE . 5.4 tp -119.58 126.08 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 71.22 110.94 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -115.45 108.37 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 73.22 109.324 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CD1' HG13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -134.87 130.57 36.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 64.34 111.598 -175.078 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HD3' ' A' ' 81' ' ' ARG . 1.2 mptm? -118.13 -179.55 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 71.04 110.184 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.02 127.86 50.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.327 -0.397 . . . . 61.44 110.12 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 38' ' ' ILE . 28.6 t70 -125.62 122.28 35.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.352 -0.61 . . . . 72.21 109.352 174.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 63.94 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 72.42 111.643 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -152.98 14.55 0.53 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.184 0.439 . . . . 41.54 112.184 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -143.95 160.04 41.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.084 -0.646 . . . . 60.13 111.045 176.24 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.612 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 22.8 t -77.5 130.4 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.619 -0.719 . . . . 75.41 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.546 HG22 ' HE3' ' A' ' 36' ' ' LYS . 43.9 pt -119.44 141.72 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 64.25 111.293 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -85.73 108.64 17.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.296 -0.411 . . . . 71.43 110.03 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' HD3' ' A' ' 31' ' ' LYS . 92.5 mt-10 -80.84 -42.51 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.48 -0.327 . . . . 74.13 110.37 178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 140.07 19.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.125 0.488 . . . . 73.34 112.019 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.32 75.22 0.93 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.477 -0.934 . . . . 72.21 108.477 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.06 144.01 31.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.266 -0.879 . . . . 74.32 111.636 -167.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.831 ' HB ' ' HG2' ' A' ' 26' ' ' ARG . 10.2 t -100.96 163.91 12.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.301 -0.629 . . . . 71.2 109.301 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 12.5 pt20 -83.97 -19.59 34.34 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.507 -0.477 . . . . 72.34 110.068 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.5 p30 -77.18 -15.66 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 75.43 111.236 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -91.34 -13.35 32.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.88 -0.328 . . . . 62.45 111.088 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -99.1 -15.17 19.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.724 -0.39 . . . . 71.13 111.478 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.2 -20.65 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.984 -1.103 . . . . 74.44 113.266 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 51' ' ' THR . 7.2 mm -86.74 178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.188 -0.671 . . . . 72.31 109.188 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.704 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -97.89 -34.73 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.463 0.542 . . . . 74.42 112.463 -176.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.58 -78.41 0.3 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 119.675 -1.25 . . . . 32.15 114.61 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 9.7 m-20 -64.06 126.86 29.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.869 0.322 . . . . 74.42 111.869 -170.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 14.1 t70 -53.58 -64.97 0.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.89 -0.595 . . . . 73.41 112.155 -176.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -100.91 -39.4 7.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.308 -0.557 . . . . 72.42 110.47 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 24.4 t70 -54.75 -42.24 71.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 73.44 110.831 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 58' ' ' SER . 5.0 t70 -96.69 -26.18 15.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.714 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 21.8 t 83.7 35.51 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.234 0.959 . . . . 54.33 110.315 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.444 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 75.0 m -81.46 1.31 33.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.787 -0.642 . . . . 74.31 111.252 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.609 ' HD2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.33 -24.8 57.41 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.292 0.237 . . . . 72.12 111.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.27 -31.11 42.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.395 -0.366 . . . . 55.41 111.038 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.16 79.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.386 . . . . 41.14 110.114 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 98.3 m-85 -65.38 -26.16 67.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.805 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -69.46 -38.03 77.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.854 -0.612 . . . . 73.22 110.823 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -86.92 -23.9 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.319 . . . . 73.04 111.333 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 m-30 -61.56 -34.68 75.99 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.842 0.312 . . . . 73.41 111.842 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 34.6 m -63.37 -32.49 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 73.54 111.021 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -69.97 -41.92 73.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.392 0.615 . . . . 64.34 110.131 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 17.0 t70 -60.25 -36.53 77.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.261 -0.882 . . . . 73.32 109.381 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.0 t -58.15 -46.28 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 115.487 -0.779 . . . . 53.13 111.212 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -80.21 -21.0 43.36 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 118.891 -1.124 . . . . 72.53 110.836 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -75.45 -48.31 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.329 -0.396 . . . . 74.22 110.96 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 52.3 ptt85 -78.96 -31.65 45.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.782 0.29 . . . . 74.52 111.782 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.773 HG21 ' HB2' ' A' ' 79' ' ' ASP . 2.8 m -101.15 15.33 29.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.794 0.33 . . . . 75.2 111.812 -174.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.14 -77.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.873 0.694 . . . . 74.24 112.873 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -103.91 -82.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.732 0.301 . . . . 61.55 110.266 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -161.89 23.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 72.33 108.768 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.73 29.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.899 -1.046 . . . . 72.11 111.899 -171.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.773 ' HB2' HG21 ' A' ' 74' ' ' THR . 17.2 t70 -98.4 139.78 33.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.51 -0.552 . . . . 75.22 109.51 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HA ' HG23 ' A' ' 109' ' ' ILE . 30.8 m -147.76 134.46 19.96 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.179 -1.045 . . . . 72.54 108.179 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.557 ' HD3' ' HE2' ' A' ' 31' ' ' LYS . 4.2 ptp180 -163.96 175.67 10.12 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.973 -0.38 . . . . 74.54 109.973 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.1 m-85 -112.94 128.17 56.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.779 -0.646 . . . . 74.11 109.334 166.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -131.75 130.22 41.63 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.925 -0.58 . . . . 71.45 109.698 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.664 HG11 ' HE1' ' A' ' 15' ' ' PHE . 68.6 t -124.86 122.37 63.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.274 0.559 . . . . 71.33 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CE2' ' HB1' ' A' ' 83' ' ' ALA . 53.4 m-85 -129.66 131.02 46.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.349 -0.841 . . . . 72.52 109.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.7 t70 -90.95 97.79 11.39 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.305 -1.739 . . . . 63.43 106.305 165.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -101.93 135.07 44.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.423 0.63 . . . . 71.42 110.491 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 31.2 ttmt -94.69 109.95 21.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.349 -0.841 . . . . 72.24 110.694 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' CE1' HD23 ' A' ' 158' ' ' LEU . 11.3 p90 -121.48 -171.64 2.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.16 -0.927 . . . . 61.34 109.658 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.556 ' HB ' HG23 ' A' ' 98' ' ' THR . 27.7 p -123.57 124.54 43.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.661 0.267 . . . . 74.21 110.72 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.1 t -96.86 140.18 31.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.967 -0.56 . . . . 51.11 109.708 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -82.02 101.6 10.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.99 -0.55 . . . . 41.14 110.334 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -72.26 120.45 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.579 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.82 116.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 75.03 109.958 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.31 -12.04 47.84 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.372 -0.691 . . . . 70.01 111.372 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.12 -160.64 1.09 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.081 -0.34 . . . . 73.03 110.081 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.55 -135.76 6.78 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.617 -0.801 . . . . 64.45 112.595 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.556 HG23 ' HB ' ' A' ' 90' ' ' THR . 52.5 m -70.77 134.85 47.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.827 0.346 . . . . 64.12 111.302 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -139.06 121.13 15.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 55.4 110.139 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 4.9 tmmm? -68.91 130.5 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.084 -176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.1 136.55 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 51.24 110.092 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.34 129.45 53.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.398 -0.364 . . . . 64.15 110.343 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.878 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -164.76 164.3 21.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.611 0.719 . . . . 41.41 112.918 177.119 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 6.7 tt -95.04 140.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.326 -1.307 . . . . 73.1 111.864 -168.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.9 pt -130.01 144.19 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 72.44 111.125 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.686 ' HE1' HG21 ' A' ' 138' ' ' ILE . 31.0 m-85 -93.11 112.5 24.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 52.45 110.462 172.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 7.1 tt -94.89 103.0 14.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.722 -0.473 . . . . 71.12 109.722 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.686 HE22 ' HB3' ' A' ' 122' ' ' TYR . 5.4 tp60 -103.21 115.01 29.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.75 -0.659 . . . . 71.41 109.306 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.479 HG12 ' HD3' ' A' ' 111' ' ' PRO . 8.9 tt -104.44 108.9 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.369 0.604 . . . . 53.44 110.059 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.8 t -122.86 85.6 50.15 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.419 -0.809 . . . . 74.03 110.791 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.798 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 31.5 Cg_exo -62.15 122.53 11.03 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.901 2.401 . . . . 63.54 111.059 174.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.82 -43.05 99.62 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.39 -0.524 . . . . 74.14 109.798 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.93 50.41 4.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.957 -0.64 . . . . 73.32 112.302 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -125.47 176.81 6.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.648 0.261 . . . . 44.35 110.841 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 m -62.88 101.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.804 -0.635 . . . . 62.33 110.88 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.38 -44.48 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -49.98 -64.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.833 0.349 . . . . 60.03 111.609 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.34 -24.11 59.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.168 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.602 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 35.9 ttpt -74.14 -39.76 63.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.964 0.411 . . . . 74.55 110.625 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.1 ttt -68.09 -21.75 64.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 72.23 109.936 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.26 -35.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 64.23 109.992 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB3' HE22 ' A' ' 108' ' ' GLN . 50.2 m-85 -66.97 -25.1 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 74.11 111.396 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.73 -36.7 73.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 71.2 109.967 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 m -70.59 -29.42 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 55.15 110.044 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.407 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 18.0 m -69.65 -36.12 75.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.559 -0.746 . . . . 61.11 111.478 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.02 -41.4 59.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.909 0.385 . . . . 74.21 111.625 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.84 71.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.544 . . . . 71.3 110.571 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -51.2 50.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 71.21 112.046 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 11' ' ' VAL . 5.7 tp -63.71 -37.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.716 -0.22 . . . . 72.15 111.463 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 27.6 ttpt -74.08 -42.99 59.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 61.34 110.224 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 55.3 m -65.18 -34.81 79.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.045 -0.525 . . . . 63.15 110.769 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -29.56 66.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.374 -0.376 . . . . 45.45 111.037 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.48 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.5 mp -92.42 -28.51 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.39 -0.524 . . . . 53.42 111.938 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 50.08 41.98 38.95 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 121.424 -0.417 . . . . 62.12 113.114 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.498 HG21 HG23 ' A' ' 138' ' ' ILE . 2.9 m -68.02 -44.45 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 70.22 111.527 -175.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.12 -31.54 2.05 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 116.23 -0.441 . . . . 43.3 113.402 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -128.25 95.77 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.99 0.424 . . . . 71.15 110.083 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.686 HG21 ' HE1' ' A' ' 106' ' ' PHE . 1.6 pp -149.16 159.35 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.832 -0.622 . . . . 74.13 111.147 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 139' ' ' LEU . 4.1 mm? -110.19 99.9 8.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.095 -0.706 . . . . 72.23 109.095 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -104.52 100.82 10.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.888 -0.596 . . . . 71.13 109.768 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.559 ' HD2' HG13 ' A' ' 143' ' ' VAL . 36.0 p90 -100.62 152.44 20.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.955 -0.566 . . . . 73.24 110.95 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -112.99 105.79 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.198 0.523 . . . . 62.3 110.302 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 141' ' ' PHE . 26.9 m -105.28 165.27 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.594 -0.73 . . . . 63.02 110.111 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 56.7 p -136.3 -27.12 1.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.833 0.349 . . . . 71.43 111.24 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.85 154.66 23.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.792 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.787 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 9.6 pt-20 -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 74.13 111.612 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.2 t -70.15 -24.84 63.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.345 -0.389 . . . . 54.22 110.402 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.93 -24.94 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 55.13 110.656 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.501 ' HB2' HD11 ' A' ' 107' ' ' LEU . 25.9 ptm -103.55 19.33 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.975 0.416 . . . . 70.12 110.803 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 38.8 m -80.21 162.85 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.666 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.604 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 32.1 p80 -60.18 -38.68 83.96 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.63 0.604 . . . . 65.21 112.63 -172.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -61.84 -50.34 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.735 0.302 . . . . 73.41 110.493 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 6.1 mm-40 -62.75 -40.76 98.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.172 -0.467 . . . . 62.44 111.417 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 150' ' ' SER . 30.0 mt -56.61 -48.31 77.73 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.976 -0.29 . . . . 72.11 110.58 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 8.1 tt -60.84 -45.02 96.14 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.512 -0.551 . . . . 72.44 109.512 177.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -58.8 -46.38 87.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.316 -0.856 . . . . 65.13 111.323 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 66.8 mmtt -63.85 -48.73 75.58 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.04 0.448 . . . . 64.45 110.6 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 89' ' ' PHE . 18.1 tp -74.54 -11.32 60.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.655 -175.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -91.81 -46.31 3.71 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.57 -0.824 . . . . 72.52 111.963 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -65.58 -29.25 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.758 0.279 . . . . 70.3 111.288 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.516 ' HD2' ' CD2' ' A' ' 162' ' ' TYR . 3.4 pptp? -49.07 -49.02 43.55 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.552 0.533 . . . . 63.31 112.311 -175.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.516 ' CD2' ' HD2' ' A' ' 161' ' ' LYS . 17.5 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.396 . . . . 64.32 111.103 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.0 0.429 . . . . 73.11 110.125 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -99.38 1.53 44.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.54 . . . . 61.12 110.152 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.09 70.32 1.14 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.316 -1.114 . . . . 20.43 110.316 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.56 130.09 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.231 0.539 . . . . 74.41 111.33 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 86.1 mtp -99.24 158.11 15.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.614 -0.721 . . . . 72.34 109.567 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 132' ' ' SER . 3.5 p -111.52 112.74 41.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.036 0.446 . . . . 63.43 110.435 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.5 t70 -69.68 131.0 89.87 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.773 -0.454 . . . . 72.41 109.773 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -56.53 -26.09 62.12 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 123.274 2.649 . . . . 65.22 113.717 -173.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.69 -24.6 67.62 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.056 0.391 . . . . 74.03 112.056 -175.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' ASP . 17.8 m -68.6 -42.09 83.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.449 -0.575 . . . . 73.14 109.449 174.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -69.66 -35.92 75.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.542 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 m -59.44 -41.62 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.366 0.603 . . . . 64.14 110.308 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' HD13 ' A' ' 28' ' ' ILE . 38.2 m -69.35 -34.13 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.625 -0.716 . . . . 64.03 110.858 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.638 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 19.7 m-85 -63.9 -26.15 68.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 74.21 111.398 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 83.3 mm-40 -84.55 -42.12 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 75.14 111.403 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -59.24 -31.57 69.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.942 0.719 . . . . 72.24 112.942 -170.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.4 pt? -89.91 -36.15 15.19 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.413 -0.515 . . . . 70.2 110.618 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -67.21 -40.61 86.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 74.22 111.002 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.1 pt-20 -91.7 -3.26 56.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.322 . . . . 75.33 111.089 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.95 -114.63 0.72 Allowed Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.005 -0.838 . . . . 72.31 111.005 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -91.87 -68.87 0.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.611 -0.885 . . . . 61.52 108.611 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? 179.17 -70.76 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.321 -0.854 . . . . 73.44 109.883 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 40.5 mp0 -85.28 13.09 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.018 -0.537 . . . . 74.13 111.957 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -88.82 119.94 29.77 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.211 -0.596 . . . . 73.34 111.178 -174.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 1.011 ' H ' ' HB ' ' A' ' 44' ' ' THR . 65.3 mtt85 55.58 116.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.395 -1.275 . . . . 65.12 112.515 -175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 61.2 m-85 -100.46 173.47 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 75.22 110.539 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.64 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.0 tp -116.91 121.14 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.544 0.687 . . . . 73.14 111.342 -176.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.47 119.01 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.32 -0.855 . . . . 75.51 108.842 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HD1' HG13 ' A' ' 28' ' ' ILE . 3.1 p90 -134.47 151.21 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.348 0.594 . . . . 74.34 111.789 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HG3' ' A' ' 40' ' ' GLU . 55.9 mtpt -139.36 -172.18 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.753 -0.658 . . . . 63.43 110.628 -175.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.554 HD13 ' HA ' ' A' ' 37' ' ' VAL . 25.0 mm -110.1 126.25 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.176 0.512 . . . . 71.22 111.153 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -134.56 151.05 50.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.268 -1.012 . . . . 63.25 108.268 172.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 57.55 -95.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.553 0.533 . . . . 63.51 110.212 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -150.46 20.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.3 -0.409 . . . . 61.25 110.709 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.73 165.92 26.07 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.503 -0.479 . . . . 74.01 111.177 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.554 ' HA ' HD13 ' A' ' 32' ' ' ILE . 36.6 t -74.99 126.88 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.992 -0.549 . . . . 74.41 110.764 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 ' HE3' ' A' ' 36' ' ' LYS . 24.1 pt -121.29 153.75 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.633 0.254 . . . . 54.34 110.371 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.1 126.87 40.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.24 0.543 . . . . 73.54 110.424 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.712 ' HG3' ' HD3' ' A' ' 31' ' ' LYS . 11.6 mm-40 -96.57 -50.6 4.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.42 110.808 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.43 149.14 33.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 73.24 111.22 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -137.36 83.66 2.01 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.211 -0.904 . . . . 63.24 108.803 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.4 147.62 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.797 -0.638 . . . . 73.13 110.578 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 1.011 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 4.5 t -99.2 156.65 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.014 -0.365 . . . . 64.43 110.014 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 3.6 pt20 -81.5 -21.49 38.62 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.017 0.437 . . . . 74.34 110.223 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -16.72 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 74.13 110.891 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 44' ' ' THR . 18.9 pt20 -91.15 -19.77 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.924 -0.31 . . . . 74.2 111.192 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -93.68 -12.31 29.59 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.878 -0.329 . . . . 71.22 111.425 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.86 23.0 0.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 119.932 -1.127 . . . . 54.43 113.738 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.9 mm -103.55 155.82 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.618 -0.512 . . . . 53.24 109.618 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 1.6 m -52.97 -60.44 3.28 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.769 0.655 . . . . 74.32 112.769 -173.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.19 -88.98 0.11 Allowed Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.366 -0.921 . . . . 73.21 113.005 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 12.5 t70 -67.53 144.12 55.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.443 0.163 . . . . 72.01 111.031 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 8.0 t70 -56.65 -63.68 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.438 0.533 . . . . 54.13 112.438 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 86.0 t80 -100.52 -37.52 8.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.454 -0.499 . . . . 74.24 111.415 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.84 -15.34 62.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 73.33 110.108 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 17.9 m-20 -120.17 -1.92 10.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.526 -0.761 . . . . 54.0 110.85 171.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.1 m 60.84 32.17 20.08 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.452 0.47 . . . . 73.54 112.187 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 m -74.21 -15.26 61.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.625 0.602 . . . . 70.14 112.625 -174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.613 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -56.43 -22.92 35.1 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 110.244 -0.28 . . . . 72.33 110.244 175.139 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.69 -27.64 5.02 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.357 -0.383 . . . . 60.1 111.352 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -62.06 -27.57 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.433 . . . . 72.42 110.93 176.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.755 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 28.2 m-85 -72.17 -19.82 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.305 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.1 t70 -58.27 -31.55 67.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 63.31 110.678 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -86.82 -22.31 25.92 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.781 -0.367 . . . . 72.24 110.322 175.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 63' ' ' PHE . 22.3 m-85 -71.37 -30.6 66.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 73.32 111.571 -177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.0 m -63.75 -31.19 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 61.42 110.077 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.38 -41.53 24.47 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.317 -0.623 . . . . 51.51 109.317 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 9.7 t70 -50.56 -35.88 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.093 -0.958 . . . . 74.01 109.881 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 66' ' ' PHE . 75.9 t -65.0 -57.39 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.772 -0.649 . . . . 72.02 111.469 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -84.45 -20.71 31.31 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 119.548 -0.861 . . . . 72.41 112.748 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -70.61 -61.27 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.497 0.189 . . . . 71.1 111.264 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 7.9 ppt_? -80.53 -3.08 48.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.218 0.451 . . . . 53.31 112.218 -172.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 79' ' ' ASP . 68.4 p -101.83 -5.99 24.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.156 -0.312 . . . . 73.23 110.156 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 t70 67.99 -59.88 0.42 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.199 -0.91 . . . . 64.32 111.856 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -145.04 51.49 1.22 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 71.0 110.89 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt 59.76 33.82 21.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.858 -0.61 . . . . 70.53 112.125 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -75.16 -40.68 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 62.52 111.146 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 74' ' ' THR . 28.1 t70 -95.16 141.87 28.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.41 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.01 161.21 35.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.099 -0.501 . . . . 55.04 109.731 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.03 166.44 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.741 0.305 . . . . 75.21 111.211 -175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.595 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.33 127.53 55.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.026 -1.102 . . . . 64.11 108.026 176.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -130.09 141.23 50.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.9 0.381 . . . . 74.42 111.105 -174.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.64 ' HB ' HG23 ' A' ' 28' ' ' ILE . 23.4 t -130.37 128.1 63.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.087 -0.506 . . . . 53.44 111.419 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.411 ' O ' HG12 ' A' ' 105' ' ' ILE . 27.9 m-85 -139.02 131.4 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 75.41 109.798 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -86.68 100.84 12.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.895 -0.78 . . . . 43.03 108.895 169.805 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HZ ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 m-30 -93.77 134.51 36.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.613 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 1.8 ttmp? -107.54 127.74 53.89 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 73.33 109.999 174.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.673 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 8.8 p90 -143.64 178.45 7.78 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.696 -0.684 . . . . 74.12 109.27 -176.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 75.2 p -119.71 121.2 38.69 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.768 -0.373 . . . . 63.34 110.211 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 50.2 t -102.22 131.36 48.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.217 -0.66 . . . . 73.43 109.217 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m -63.66 116.06 5.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.876 0.37 . . . . 64.42 110.47 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -77.29 123.56 26.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.226 -0.657 . . . . 62.03 109.226 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.47 112.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 62.23 110.599 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 4.03 65.35 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 62.53 112.681 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.77 -160.8 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.83 0.315 . . . . 74.1 110.783 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -159.7 35.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.972 -0.633 . . . . 45.21 112.69 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 2.0 p -81.43 136.52 35.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 74.31 111.706 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -105.86 116.04 31.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 75.23 110.084 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.6 116.74 22.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.211 -0.45 . . . . 70.45 109.877 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.8 ttt -131.35 135.41 47.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.398 . . . . 75.31 110.819 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.9 p30 -107.53 141.8 38.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.597 -0.52 . . . . 65.42 109.597 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.593 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -165.04 148.55 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.435 0.636 . . . . 75.32 111.775 176.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.593 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -75.3 132.47 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.719 -1.128 . . . . 74.24 111.409 -177.28 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 33.0 pt -113.69 136.92 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.722 175.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.553 ' HE2' HG21 ' A' ' 138' ' ' ILE . 30.0 m-85 -92.41 104.33 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.078 -0.51 . . . . 62.5 110.096 173.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 6.6 tt -90.67 102.15 14.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.239 -0.652 . . . . 62.03 109.239 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 142' ' ' GLN . 49.0 tp60 -103.89 113.45 26.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.309 -0.405 . . . . 74.42 110.682 176.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.492 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.5 mt -84.27 116.83 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 144' ' ' SER . 46.3 t -132.04 82.46 59.17 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 120.87 0.366 . . . . 63.44 110.34 -178.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.916 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.9 Cg_exo -63.23 130.31 28.33 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.547 2.165 . . . . 54.43 110.921 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.72 -41.93 91.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 54.31 111.164 -174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.7 22.14 40.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.906 -0.664 . . . . 73.53 112.904 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.916 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -80.63 175.9 10.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.721 0.296 . . . . 62.43 110.932 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.496 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 4.8 m -61.89 94.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.902 -0.59 . . . . 74.21 110.816 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.5 mt -50.06 -43.97 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.572 0.582 . . . . 74.12 112.572 -174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -51.74 68.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.49 0.552 . . . . 64.34 112.49 -175.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 16.1 pttp -85.93 -21.02 28.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.593 -0.443 . . . . 73.21 111.039 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 30.1 ttpt -75.26 -30.74 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.877 -0.416 . . . . 71.45 109.877 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -65.71 -27.96 68.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.214 -0.661 . . . . 65.13 109.214 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 32' ' ' ILE . 47.8 t -58.81 -41.74 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.667 . . . . 71.22 109.893 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.9 -34.59 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.424 -0.353 . . . . 71.42 111.066 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.69 -34.41 78.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.284 0.564 . . . . 73.2 109.949 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.7 m -71.57 -33.6 69.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 54.2 110.009 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.459 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.2 m -68.05 -36.12 79.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 64.31 111.327 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -54.72 -41.09 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 53.31 111.114 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.64 64.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.14 111.08 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.29 -44.59 24.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.351 -0.386 . . . . 54.14 111.591 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.8 tp -60.93 -35.47 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.325 -0.398 . . . . 61.33 111.112 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -26.5 45.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.865 0.364 . . . . 74.11 110.826 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.2 m -76.96 -41.32 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.531 -0.304 . . . . 74.53 110.615 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.635 ' HB3' HG11 ' A' ' 7' ' ' VAL . 10.8 p -64.83 -40.44 95.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 75.4 111.248 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.56 -27.37 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.393 . . . . 73.14 111.183 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.64 -82.52 1.06 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.57 -0.824 . . . . 64.21 111.617 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.819 HG21 HG23 ' A' ' 138' ' ' ILE . 11.5 m 63.78 -65.99 0.11 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.699 0.8 . . . . 64.24 112.548 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.91 -30.46 9.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.476 -0.392 . . . . 54.33 112.85 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -160.9 123.43 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 73.33 110.665 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.819 HG23 HG21 ' A' ' 135' ' ' THR . 1.6 pp -143.41 177.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.88 -0.6 . . . . 75.23 111.181 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.39 102.19 9.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 70.53 109.769 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -105.15 124.09 48.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.279 -0.419 . . . . 75.12 109.989 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 52.2 p90 -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.836 -0.431 . . . . 72.41 109.836 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 76.9 mt-30 -115.19 122.79 47.11 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.603 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.728 HG11 ' HB3' ' A' ' 149' ' ' MET . 21.6 m -106.23 130.72 57.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.933 -0.576 . . . . 71.11 110.464 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 110' ' ' CYS . 13.5 p -91.77 -18.28 24.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 71.51 110.548 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.96 167.75 25.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.304 -0.862 . . . . 72.12 109.99 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.681 ' HA ' ' HG2' ' A' ' 149' ' ' MET . 0.0 OUTLIER -81.48 -21.83 38.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.687 -0.688 . . . . 75.33 112.03 -175.478 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.1 t -67.62 -40.2 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.795 0.331 . . . . 63.02 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -71.03 -36.07 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.813 0.301 . . . . 71.44 111.813 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.728 ' HB3' HG11 ' A' ' 143' ' ' VAL . 25.7 ptm -81.75 29.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 61.42 111.656 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.0 m -54.54 151.01 8.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.742 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.54 -24.77 57.95 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.343 0.497 . . . . 72.41 112.343 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -73.29 -34.29 65.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -63.98 -33.77 76.49 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.438 -0.105 . . . . 64.41 111.006 -173.031 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.38 -37.48 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 73.54 110.655 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.89 -52.19 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.421 -0.585 . . . . 61.32 109.421 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -63.6 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 73.52 110.952 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -69.87 -40.32 75.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.028 -0.533 . . . . 63.3 111.19 -177.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.5 tp -77.64 -10.86 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.041 0.448 . . . . 64.32 110.136 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.98 -41.88 3.19 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.825 -0.702 . . . . 54.22 113.347 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.46 -22.11 61.06 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.523 0.934 . . . . 65.15 113.523 -170.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.585 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -64.01 -39.5 94.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.84 -0.344 . . . . 70.44 111.649 -173.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.585 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.9 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 73.02 111.074 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.379 0.609 . . . . 43.04 110.803 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -126.13 -18.28 5.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 55.42 110.084 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.35 101.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.448 -0.882 . . . . 63.22 111.745 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.77 129.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.692 -0.484 . . . . 60.42 109.692 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 36.9 mtt -99.42 169.46 9.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.264 -0.426 . . . . 70.14 109.854 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.12 120.06 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.964 0.411 . . . . 72.1 111.236 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.91 136.02 83.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.919 -0.582 . . . . 70.1 110.154 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.87 -26.37 80.5 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 62.1 111.311 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.26 -33.86 68.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.14 -0.936 . . . . 75.24 111.004 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.37 -46.98 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.208 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.03 -40.64 95.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.522 . . . . 72.01 110.926 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 m -59.72 -39.48 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 54.25 110.489 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.611 ' HB3' HD13 ' A' ' 28' ' ' ILE . 21.8 m -75.75 -19.01 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.484 -0.78 . . . . 63.3 111.221 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.8 m-85 -81.54 -43.09 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.958 0.409 . . . . 64.02 111.332 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -71.43 -14.33 62.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.838 0.31 . . . . 74.13 111.838 -174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.8 ptmm? -71.58 -18.24 62.25 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.847 -0.341 . . . . 72.01 111.211 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.2 pt? -123.87 -34.12 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.281 -0.568 . . . . 74.44 111.154 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -58.78 -53.99 52.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.996 0.427 . . . . 71.33 110.41 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -110.29 26.85 10.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.37 -0.604 . . . . 62.25 109.37 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.29 -124.51 2.77 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.733 -0.746 . . . . 74.41 113.009 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -99.36 15.87 24.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.976 0.362 . . . . 73.23 111.976 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 29.5 mtpp 52.15 -95.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.854 1.057 . . . . 72.43 113.854 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.669 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 3.3 mp0 -71.86 -6.53 42.37 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.08 0.4 . . . . 75.25 112.08 -170.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -92.7 121.81 34.48 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.336 -0.546 . . . . 75.32 110.78 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' N ' ' HB ' ' A' ' 44' ' ' THR . 65.0 mtt-85 54.85 116.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.255 -1.339 . . . . 61.51 112.261 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -98.14 178.68 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.32 -0.622 . . . . 70.44 109.32 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.676 HG13 ' HD1' ' A' ' 30' ' ' PHE . 5.0 tp -120.47 124.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.453 0.645 . . . . 73.1 111.882 -173.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -115.73 116.99 54.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.174 -0.921 . . . . 72.34 109.286 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.676 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.5 p90 -133.37 153.75 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 63.22 111.294 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -142.27 154.08 44.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.29 -0.414 . . . . 62.14 111.125 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mm -78.16 128.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.18 -0.464 . . . . 73.41 109.879 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -132.79 116.76 16.94 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.284 -0.635 . . . . 73.05 109.284 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 71.94 -64.42 0.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.003 0.814 . . . . 74.03 111.039 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -151.98 -46.61 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.585 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -93.81 164.33 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.732 -175.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG21 ' HD2' ' A' ' 30' ' ' PHE . 7.2 p -90.29 134.59 28.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.009 -0.541 . . . . 62.42 110.412 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.674 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.7 pt -118.65 154.3 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 70.54 110.52 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.71 122.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.894 -0.41 . . . . 54.34 109.894 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -95.75 -50.83 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.717 -0.393 . . . . 52.32 110.4 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.55 142.49 29.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.662 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.77 74.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.944 -0.761 . . . . 71.33 108.944 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.75 150.37 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.468 -0.787 . . . . 74.44 111.299 -172.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.662 ' HB ' ' N ' ' A' ' 26' ' ' ARG . 5.8 t -111.54 163.07 14.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.044 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 pt20 -65.22 -23.71 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.187 0.517 . . . . 53.21 110.077 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 7.9 t70 -57.59 -60.84 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.855 . . . . 73.3 110.488 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 44' ' ' THR . 18.9 pt20 -70.23 -21.68 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 70.42 110.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 45.1 tp -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.252 -0.886 . . . . 72.43 110.848 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.38 -11.26 3.0 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.345 -0.931 . . . . 71.01 112.53 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.677 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.0 mm -85.81 179.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.171 -0.677 . . . . 72.13 109.171 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 50' ' ' ILE . 17.1 m -87.33 -32.9 19.4 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.18 0.808 . . . . 74.23 113.18 -168.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.72 -104.76 0.2 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 118.953 -1.594 . . . . 73.44 114.853 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 56' ' ' ASP . 4.7 m-20 -73.49 140.14 46.21 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.231 0.456 . . . . 71.4 112.231 -170.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.94 -64.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.736 -0.665 . . . . 72.33 112.588 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 13.2 t80 -99.29 -42.91 6.8 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.939 -0.704 . . . . 74.42 110.891 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.1 m-20 -52.25 -43.43 64.35 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.489 0.493 . . . . 63.32 111.415 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -114.62 14.45 17.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.051 0.453 . . . . 74.05 110.467 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m 60.79 24.18 14.1 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.015 0.746 . . . . 64.32 113.015 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.6 m -80.42 -0.02 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.292 . . . . 74.2 111.317 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.26 54.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.084 -0.507 . . . . 75.02 110.853 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.93 -23.29 1.89 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.876 -0.602 . . . . 72.13 111.431 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.78 -35.82 71.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 52.01 110.77 174.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -76.47 -23.34 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 72.43 110.674 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -33.4 74.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 60.5 110.355 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -86.82 -23.92 25.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 75.43 110.86 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.4 m-85 -62.9 -44.78 95.16 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.425 -0.352 . . . . 60.33 111.525 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.794 HG12 ' HG3' ' A' ' 149' ' ' MET . 30.5 m -57.3 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 63.42 111.682 -175.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.96 -38.62 20.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.442 -0.345 . . . . 65.41 111.367 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 3.5 t70 -65.83 -34.07 77.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.362 -0.607 . . . . 55.53 109.362 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 66' ' ' PHE . 76.1 t -57.48 -41.48 78.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.744 -0.662 . . . . 53.13 110.179 174.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.64 -50.71 70.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.429 0.633 . . . . 73.33 109.914 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -54.29 -37.23 64.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.601 -1.181 . . . . 72.43 111.903 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 31.7 mmt180 -85.55 -45.44 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.311 0.486 . . . . 75.43 112.311 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 79' ' ' ASP . 79.1 p -84.25 -13.55 52.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.877 0.325 . . . . 45.5 111.877 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.56 -72.06 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.71 0.631 . . . . 62.5 111.012 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -134.88 56.37 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.959 -0.386 . . . . 74.23 109.959 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER 41.94 42.03 2.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.217 -0.901 . . . . 62.31 112.851 177.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -93.84 12.24 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.35 0.595 . . . . 54.31 110.195 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.63 ' HB3' HG22 ' A' ' 74' ' ' THR . 23.7 t70 -125.97 142.44 51.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.11 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 p -134.88 149.92 50.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.043 -0.526 . . . . 72.31 109.865 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.505 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 17.9 ptt180 -161.92 167.87 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 73.24 110.942 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -116.12 128.84 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 75.24 110.075 -176.174 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.25 146.99 45.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.716 0.293 . . . . 60.05 110.707 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.5 t -133.19 130.27 57.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.093 0.473 . . . . 75.51 110.824 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -133.6 145.26 49.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.074 -0.713 . . . . 72.32 109.074 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.668 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.4 t70 -90.9 97.6 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.385 -1.339 . . . . 73.23 107.385 169.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.64 108.31 19.6 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.712 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.669 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -111.39 134.5 52.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 74.55 110.573 178.044 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.9 p90 -145.73 -172.83 3.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.095 -0.957 . . . . 71.33 109.268 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 18.5 p -126.26 136.55 52.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.017 0.436 . . . . 71.12 111.097 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 98' ' ' THR . 80.2 m -116.51 132.48 56.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 63.42 110.526 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.7 m -72.03 103.89 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 65.04 109.81 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 59.8 ttt180 -83.7 135.28 34.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.912 -0.585 . . . . 74.23 110.598 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 119.45 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 75.34 110.463 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.59 2.63 67.34 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.593 -0.73 . . . . 62.32 111.46 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.95 -159.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.183 -0.302 . . . . 72.04 110.183 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.68 -155.49 10.38 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.46 -0.656 . . . . 70.14 111.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 1.6 p -76.56 117.7 18.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.124 0.462 . . . . 73.41 110.561 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' THR . 12.9 m -101.97 141.27 35.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.046 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -74.97 130.43 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.154 -0.313 . . . . 72.42 110.154 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.1 mtt -135.16 111.13 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.185 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.4 p-10 -104.23 147.87 26.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.632 -0.713 . . . . 72.24 109.747 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 1.015 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.47 115.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 71.33 111.363 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 9.0 tt -65.49 121.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 73.43 109.981 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.543 HG21 HD21 ' A' ' 158' ' ' LEU . 23.0 pt -121.42 147.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.05 0.453 . . . . 73.44 111.618 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.561 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 48.7 m-85 -94.18 102.79 14.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.623 -0.717 . . . . 62.22 110.452 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HG ' ' HE1' ' A' ' 141' ' ' PHE . 8.9 tt -91.87 102.25 14.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.871 -0.604 . . . . 60.31 109.397 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -96.92 112.1 24.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.874 -0.603 . . . . 64.22 110.55 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.46 105.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.108 -0.701 . . . . 65.41 109.108 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.5 t -146.36 90.61 5.61 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.998 -0.546 . . . . 61.13 110.084 -176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.891 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 20.1 Cg_exo -67.24 157.66 60.69 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.582 2.188 . . . . 65.43 111.947 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.42 -56.05 4.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.921 -0.399 . . . . 54.52 109.921 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.93 53.33 4.72 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 65.04 111.536 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -113.28 177.23 4.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.705 0.288 . . . . 74.3 110.882 -176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -66.33 89.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.756 -0.656 . . . . 54.41 110.137 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.57 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 72.6 mt -52.82 -31.31 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 O-C-N 123.742 0.651 . . . . 74.33 112.417 -171.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -55.31 -65.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.729 0.299 . . . . 73.45 111.196 -178.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -79.5 -21.28 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 75.43 110.833 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 116' ' ' ILE . 29.7 tttp -65.38 -38.99 91.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.343 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -22.06 55.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 70.54 110.058 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.2 t -63.61 -43.08 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.453 -0.573 . . . . 45.43 109.453 175.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 31.1 m-85 -67.15 -26.61 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 73.51 111.802 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.11 75.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.387 0.613 . . . . 71.25 109.758 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 m -77.64 -31.38 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 61.05 109.823 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 m -67.59 -34.17 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.107 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.498 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -60.35 -39.48 87.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.018 0.437 . . . . 65.1 110.589 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.73 -38.11 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 75.35 110.321 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.71 -51.11 53.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 45.35 111.105 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.0 tp -61.14 -33.0 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.089 0.471 . . . . 62.24 110.178 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 130' ' ' LYS . 19.5 ttpt -65.39 -46.47 79.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 63.2 110.204 176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.7 m -66.93 -38.26 85.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.654 . . . . 55.22 111.212 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 p -69.0 -31.46 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.866 0.321 . . . . 72.53 111.866 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 11.0 mp -99.21 -28.08 13.51 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.391 -0.524 . . . . 73.35 112.034 -177.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 47.04 50.1 16.54 Favored Glycine 0 CA--C 1.521 0.46 0 O-C-N 123.388 0.43 . . . . 50.31 112.851 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.579 HG21 HG23 ' A' ' 138' ' ' ILE . 3.5 m -66.08 -46.18 78.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.388 . . . . 45.43 111.599 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.27 7.39 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.058 -0.592 . . . . 75.13 112.598 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -153.44 114.93 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.917 0.389 . . . . 63.42 110.577 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.579 HG23 HG21 ' A' ' 135' ' ' THR . 1.1 pp -150.69 159.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 75.14 110.138 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -97.28 98.94 10.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.495 -0.928 . . . . 71.25 108.495 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -104.15 119.34 38.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.445 -0.798 . . . . 65.43 109.184 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.591 ' HE1' ' HG ' ' A' ' 107' ' ' LEU . 9.4 p90 -132.38 143.78 50.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.031 -0.531 . . . . 74.02 110.856 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -97.65 111.15 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 71.33 109.673 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.508 HG13 ' HD1' ' A' ' 141' ' ' PHE . 35.7 m -104.87 150.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.756 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.875 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.6 p -140.43 -46.0 0.41 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.003 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.39 154.31 26.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.057 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.458 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 12.7 pt-20 -53.23 -39.46 63.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 64.42 111.291 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -64.01 -38.98 93.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.562 -0.29 . . . . 64.42 110.857 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.445 ' HB3' HG12 ' A' ' 143' ' ' VAL . 46.6 mt-10 -65.41 -34.24 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.554 . . . . 61.44 110.895 -177.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.794 ' HG3' HG12 ' A' ' 67' ' ' VAL . 23.9 ptp -95.96 12.72 29.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 70.15 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.2 m -92.54 164.65 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 72.24 111.084 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -60.85 -25.59 66.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 63.13 111.911 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -65.96 -58.96 4.34 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.625 0.231 . . . . 71.52 111.625 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 4.5 mm-40 -64.38 -38.54 91.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.755 0.28 . . . . 64.44 111.755 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 mt -59.95 -41.39 91.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.795 0.331 . . . . 73.25 110.566 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.23 -37.67 72.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.219 -0.446 . . . . 72.14 109.894 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.02 -49.15 77.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.667 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 10.6 mptt -66.33 -48.53 69.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.674 0.75 . . . . 73.42 110.73 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.543 HD21 HG21 ' A' ' 105' ' ' ILE . 38.5 mt -67.51 -15.35 63.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.236 -0.893 . . . . 71.05 111.694 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -90.99 -39.27 5.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.477 -0.868 . . . . 44.53 112.323 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 13.7 pt-20 -69.56 -32.74 71.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.902 0.351 . . . . 72.42 111.3 -177.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.758 ' HG3' ' H ' ' A' ' 162' ' ' TYR . 16.1 pttp -48.1 -63.79 0.97 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.451 0.469 . . . . 62.31 112.242 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.758 ' H ' ' HG3' ' A' ' 161' ' ' LYS . 48.6 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.115 0.484 . . . . 75.31 110.931 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 121.499 0.666 . . . . 45.4 109.951 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -90.05 -16.73 29.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.362 -0.835 . . . . 62.23 111.215 -173.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 92.28 0.76 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.274 -0.965 . . . . 63.34 111.921 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.75 128.45 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.79 0.328 . . . . 73.35 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 23.5 ptm -107.08 153.98 21.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.301 -0.409 . . . . 73.25 110.163 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.711 HG12 ' HB ' ' A' ' 37' ' ' VAL . 31.5 m -117.0 143.81 26.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.607 -0.269 . . . . 64.4 110.363 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.82 151.61 91.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.469 -0.567 . . . . 75.13 109.469 178.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.14 -34.53 87.98 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.03 2.486 . . . . 55.14 114.105 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.6 -10.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.878 -0.329 . . . . 72.31 111.788 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' ASP . 32.7 m -58.55 -49.55 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.897 -0.721 . . . . 73.11 109.411 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.876 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 44.3 mt-30 -71.94 -35.54 69.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.563 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.624 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 10.4 m -59.71 -31.97 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.055 -0.521 . . . . 75.25 110.288 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.574 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 68.8 m -79.21 -32.44 44.02 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.342 -0.39 . . . . 64.14 111.482 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.876 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 51.9 m-85 -62.2 -40.49 96.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.518 0.675 . . . . 73.13 109.962 175.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.42 -15.99 53.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.449 -0.796 . . . . 73.53 110.385 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 13' ' ' THR . 29.6 ttmt -73.91 -28.26 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 74.33 110.772 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 3.6 pp -93.21 -31.35 14.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.909 0.385 . . . . 72.32 110.614 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 m -76.77 -10.44 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 55.54 112.124 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.72 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.26 0.467 . . . . 53.42 112.26 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.26 -84.57 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.875 -1.155 . . . . 54.41 113.685 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.9 tpt180 -94.2 -18.97 21.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.789 0.292 . . . . 71.42 111.789 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.1 mtpm? 74.1 -44.68 0.57 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.913 0.485 . . . . 73.22 110.101 -173.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.19 18.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 74.43 110.643 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -75.78 -166.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.669 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.746 ' HD3' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -40.31 125.17 2.04 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.71 0.631 . . . . 64.41 111.642 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 80.6 m-85 -97.0 163.47 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.0 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.591 HG13 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -107.04 113.95 44.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.788 -0.642 . . . . 72.33 111.507 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mm -109.56 122.38 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.282 -0.872 . . . . 71.22 109.062 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HG13 ' A' ' 28' ' ' ILE . 3.7 p90 -137.63 142.55 41.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.381 0.61 . . . . 74.02 112.156 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mptm? -127.27 178.33 6.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.566 -0.743 . . . . 73.0 110.52 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.441 HD11 ' OG ' ' A' ' 125' ' ' SER . 13.3 mm -92.56 123.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.915 -0.584 . . . . 71.15 110.539 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 38' ' ' ILE . 17.1 t70 -108.5 96.26 6.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.86 -0.793 . . . . 73.44 108.86 173.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 68.05 -69.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.395 -0.821 . . . . 74.2 111.351 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.47 -14.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.937 0.347 . . . . 72.34 111.937 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -116.81 154.35 30.88 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.986 -0.686 . . . . 74.04 111.517 -177.444 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.711 ' HB ' HG12 ' A' ' 7' ' ' VAL . 40.9 t -90.05 121.95 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 61.33 109.965 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -119.77 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.853 0.359 . . . . 71.14 110.739 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.22 121.1 14.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 54.42 110.478 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -91.29 -55.76 3.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.052 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.21 141.08 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 64.45 111.194 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.88 81.09 1.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.635 -0.711 . . . . 75.5 109.117 172.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -134.63 141.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.877 -0.601 . . . . 62.45 110.79 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 47' ' ' GLN . 3.6 t -100.75 156.78 17.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.363 -0.38 . . . . 61.22 110.029 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.765 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 10.8 pt20 -68.96 -19.3 64.16 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 120.882 0.372 . . . . 74.12 110.312 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.12 -53.57 56.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.796 -0.638 . . . . 63.24 110.346 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.656 ' H ' HG23 ' A' ' 44' ' ' THR . 4.2 pt20 -80.31 -17.48 51.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.386 -0.37 . . . . 75.42 110.653 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 55.6 tp -65.63 -15.65 62.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.8 -0.636 . . . . 75.25 110.352 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.88 36.5 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.837 -0.697 . . . . 74.53 112.023 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 51' ' ' THR . 16.1 mm -92.35 171.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.087 -0.709 . . . . 72.44 109.087 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.606 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.1 m -58.25 -59.5 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.716 0.265 . . . . 65.03 111.716 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.23 -91.71 0.13 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 63.14 112.127 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.733 ' HB2' ' H ' ' A' ' 57' ' ' ASP . 1.7 m-20 -65.32 133.89 52.39 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.685 -0.487 . . . . 74.55 109.685 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.18 -64.53 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.118 0.785 . . . . 75.12 113.118 -172.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.997 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 12.1 t80 -109.32 -17.12 13.89 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.543 -0.723 . . . . 70.24 110.528 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.19 -55.66 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.1 -0.5 . . . . 74.21 110.678 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.733 ' H ' ' HB2' ' A' ' 53' ' ' ASP . 37.0 t0 -94.93 7.2 46.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.355 0.598 . . . . 75.11 109.627 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.0 m 61.72 83.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 64.34 112.186 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -125.85 2.49 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.695 -0.684 . . . . 64.22 110.268 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -54.94 -24.95 26.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.856 -0.611 . . . . 61.41 111.209 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.09 -27.2 63.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.213 -0.449 . . . . 45.21 111.275 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.52 81.23 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.069 0.461 . . . . 60.14 110.008 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 99.5 m-85 -79.8 -22.37 43.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.816 -0.629 . . . . 73.43 110.351 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -38.94 92.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.709 -0.678 . . . . 75.44 110.156 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.04 -22.38 25.51 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.866 0.365 . . . . 72.04 110.384 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.686 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 73.5 t80 -58.8 -49.17 78.69 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 123.181 0.592 . . . . 73.5 111.29 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.8 m -60.32 -24.68 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 74.42 110.963 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 27.5 mm-40 -77.54 -49.85 13.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.091 -0.504 . . . . 52.03 111.0 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 24.8 t70 -57.08 -42.85 81.46 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.304 -0.628 . . . . 70.4 109.304 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.543 HG13 HH22 ' A' ' 81' ' ' ARG . 73.5 t -57.68 -51.63 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.468 -0.787 . . . . 75.04 110.832 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -72.48 -20.23 61.41 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.939 -0.705 . . . . 74.45 111.019 -173.737 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 m -75.31 -49.77 18.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.538 -0.301 . . . . 74.35 110.868 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 13.0 ptm180 -73.74 -31.59 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.986 0.422 . . . . 72.33 111.201 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -76.81 -27.56 55.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 71.43 109.858 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 64.49 -77.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.263 -0.881 . . . . 70.03 111.028 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -105.05 -76.63 0.6 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.903 -0.406 . . . . 64.41 109.903 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -165.03 31.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.387 0.613 . . . . 62.32 109.707 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -81.66 -49.15 10.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.457 -0.792 . . . . 72.51 111.38 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -77.4 140.95 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.03 0.443 . . . . 73.41 110.525 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 p -156.05 145.29 20.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.946 -0.57 . . . . 71.53 109.806 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.543 HH22 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -162.99 168.33 21.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.994 0.426 . . . . 63.42 111.806 -176.338 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 36.6 m-85 -114.1 141.87 46.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 72.53 110.466 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -149.4 157.55 43.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.457 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.517 HG21 ' HE1' ' A' ' 15' ' ' PHE . 84.4 t -136.91 131.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.508 -0.315 . . . . 62.52 110.454 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.79 147.06 49.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.18 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.775 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 23.0 t70 -95.64 100.48 12.21 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.869 -0.789 . . . . 64.01 108.869 171.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HE1' ' CZ ' ' A' ' 63' ' ' PHE . 32.9 m-85 -91.29 145.94 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.208 0.528 . . . . 63.2 112.285 -175.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 36.7 ttmt -128.38 116.62 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.388 -0.823 . . . . 73.42 109.903 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.997 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.6 p90 -126.54 177.42 6.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.893 0.377 . . . . 72.23 110.874 -173.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -127.88 122.67 33.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 72.22 109.932 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 50.2 t -109.19 141.51 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.352 -0.386 . . . . 75.23 110.513 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 p -72.83 117.11 14.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 24.21 109.841 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.669 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.5 tmt_? -94.01 121.17 35.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.298 -0.631 . . . . 63.23 109.298 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.08 113.53 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.158 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.57 7.87 58.79 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.803 -0.713 . . . . 51.22 112.078 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.57 -160.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.972 -0.381 . . . . 72.33 109.972 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.95 -153.44 25.37 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.625 -0.798 . . . . 61.13 112.145 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 p -81.34 121.03 25.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.144 0.497 . . . . 60.12 111.01 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -95.19 111.52 23.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.609 . . . . 33.35 110.992 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 6.3 tmmm? -85.79 116.66 24.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.006 -0.543 . . . . 75.52 109.797 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.8 mtt -135.9 156.82 48.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.153 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.5 p30 -127.77 153.0 47.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.462 -0.335 . . . . 73.4 110.321 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.746 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -165.58 122.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.91 0.386 . . . . 61.33 111.484 176.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.775 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 14.7 tt -69.82 132.43 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.672 -0.694 . . . . 62.34 110.064 174.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 87' ' ' PHE . 32.4 pt -137.22 158.63 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 75.42 112.044 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.693 ' HB3' ' HG2' ' A' ' 140' ' ' GLN . 2.8 m-85 -86.72 132.31 33.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.153 -0.931 . . . . 74.25 111.4 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 83' ' ' ALA . 7.5 tt -112.56 104.24 12.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.513 -0.767 . . . . 65.14 109.751 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.542 HE21 ' HB3' ' A' ' 110' ' ' CYS . 45.6 tt0 -102.31 104.69 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 72.43 111.105 176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 107' ' ' LEU . 64.7 mt -91.21 93.08 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.91 -0.774 . . . . 64.04 108.91 171.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.542 ' HB3' HE21 ' A' ' 108' ' ' GLN . 51.6 t -133.53 97.21 16.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.32 -0.4 . . . . 75.43 110.973 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.747 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 40.6 Cg_exo -60.93 120.27 7.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.024 2.483 . . . . 73.4 111.424 173.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 33.5 t70 -73.26 -25.58 60.75 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.638 -0.425 . . . . 61.2 110.799 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.11 10.9 66.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 54.44 112.264 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -79.18 176.78 9.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 62.51 110.859 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.2 m -57.45 107.4 0.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 42.31 110.959 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 86.3 mt -56.85 -43.21 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.276 0.843 . . . . 71.35 113.276 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.77 -51.24 70.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 53.35 111.385 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -85.21 -21.2 29.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.476 -0.329 . . . . 64.42 110.858 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 32.4 ttpt -64.52 -39.79 94.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.466 -0.568 . . . . 63.44 109.466 174.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 53.6 mtt -59.79 -33.38 71.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.507 -0.77 . . . . 72.23 110.546 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.56 -48.94 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 75.12 110.117 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 75.11 111.067 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.23 89.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 64.34 110.697 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 m -69.72 -22.66 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 52.32 110.571 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' ILE . 21.2 m -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.726 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.59 86.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.092 0.472 . . . . 61.24 110.616 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.44 -39.68 77.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 33.14 110.538 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.92 -54.79 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 61.45 111.653 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' HD13 ' A' ' 133' ' ' LEU . 5.4 tp -60.29 -31.75 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.452 -0.34 . . . . 64.22 110.718 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -71.86 -43.57 65.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.978 -0.379 . . . . 74.4 109.978 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.7 m -58.75 -39.08 79.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 65.52 111.421 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 p -69.29 -38.57 78.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.398 -0.365 . . . . 71.43 111.609 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 15' ' ' PHE . 11.2 mp -88.67 -26.61 21.76 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.67 -0.412 . . . . 74.02 111.986 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.46 -90.5 0.54 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.794 -0.717 . . . . 64.03 111.388 -174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.7 p 45.53 -102.11 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.76 0.824 . . . . 53.42 112.718 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.55 -24.37 32.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.105 -0.569 . . . . 55.32 112.884 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.601 ' H ' ' HD3' ' A' ' 137' ' ' LYS . 0.2 OUTLIER -101.67 32.18 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.309 0.576 . . . . 73.34 110.638 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.4 pp -109.97 161.87 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.425 -0.807 . . . . 62.15 110.074 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 161' ' ' LYS . 3.0 mm? -101.09 138.66 37.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.321 -0.622 . . . . 73.01 109.321 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -132.33 112.52 12.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 65.44 110.031 -175.26 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 107' ' ' LEU . 37.4 p90 -110.9 131.62 54.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 74.32 110.657 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -102.75 115.03 29.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.621 -0.718 . . . . 74.44 109.874 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 141' ' ' PHE . 33.7 m -119.94 149.36 22.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.203 -0.453 . . . . 62.04 111.537 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 17.5 p -138.15 2.95 2.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.781 -0.645 . . . . 52.22 110.802 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.97 151.03 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 74.44 110.476 -175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.725 ' HA ' ' HE2' ' A' ' 149' ' ' MET . 7.1 pt-20 -63.13 -41.06 99.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.258 0.466 . . . . 55.11 112.258 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.5 t -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.224 0.535 . . . . 63.51 110.357 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.3 2.64 20.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.838 -0.619 . . . . 74.25 111.889 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.725 ' HE2' ' HA ' ' A' ' 146' ' ' GLU . 26.6 ptt? -125.89 14.35 7.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.272 0.558 . . . . 75.04 110.14 175.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.6 m -75.91 169.7 17.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 63.31 110.405 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -57.0 -26.66 60.61 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.256 0.465 . . . . 63.34 112.256 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -55.25 -48.66 73.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.767 0.318 . . . . 73.33 110.838 172.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -59.1 -46.24 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.815 -0.63 . . . . 65.24 111.708 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 99.1 mt -58.31 -45.93 87.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 72.21 110.595 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 155' ' ' LEU . 4.6 tt -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.628 -0.508 . . . . 75.52 109.628 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -55.77 -59.64 4.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.779 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 3.8 mptp? -74.81 -22.74 58.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.585 0.707 . . . . 74.02 110.783 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.4 mp -70.51 -30.21 66.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.46 -0.791 . . . . 74.14 110.639 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.34 -52.39 2.03 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.678 -0.772 . . . . 64.21 112.937 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 11.0 pt-20 -52.78 -41.92 64.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.888 1.07 . . . . 75.2 113.888 -168.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 139' ' ' LEU . 0.8 OUTLIER -66.36 -18.8 65.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.627 0.603 . . . . 65.45 112.627 -172.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 112.647 0.61 . . . . 60.5 112.647 175.267 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 52.43 111.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -99.26 -5.32 30.05 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.822 0.344 . . . . 71.21 110.296 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.67 89.52 1.43 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.202 -0.999 . . . . 30.03 112.993 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.01 123.97 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.784 . . . . 72.53 108.882 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.438 ' HG3' ' CB ' ' A' ' 36' ' ' LYS . 23.8 ptt? -101.36 171.08 7.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.9 0.381 . . . . 62.43 110.932 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 132' ' ' SER . 7.7 p -115.8 129.19 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.275 -0.421 . . . . 62.41 111.154 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 10' ' ' ASP . 19.9 t70 -65.09 137.35 97.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 65.14 110.498 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.38 -36.39 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.146 2.564 . . . . 73.3 113.568 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 4.0 m-20 -68.79 -17.7 64.07 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.745 0.276 . . . . 74.31 111.745 -174.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 37' ' ' VAL . 91.0 t -58.95 -50.47 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 75.04 109.722 174.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.97 -35.62 80.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 74.3 110.689 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -64.07 -26.24 68.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.304 0.573 . . . . 62.12 110.77 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' HD13 ' A' ' 28' ' ' ILE . 50.9 m -84.38 -28.04 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 70.51 110.891 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.683 ' HE1' HG11 ' A' ' 84' ' ' VAL . 24.5 m-85 -71.13 -28.15 64.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.49 -0.323 . . . . 70.21 110.508 174.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.2 mm100 -57.85 -54.21 49.49 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.42 112.229 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -65.05 -6.6 9.18 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 54.51 111.65 -175.263 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 86' ' ' ASP . 9.6 tt -97.52 -56.36 2.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.565 -0.532 . . . . 51.12 109.565 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -71.06 -44.26 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.887 -0.597 . . . . 73.1 112.065 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 8.0 pt-20 -91.83 3.25 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 74.15 109.507 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.25 -117.17 1.82 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.352 -0.84 . . . . 61.25 111.108 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -111.26 -70.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.901 -0.32 . . . . 72.4 110.854 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.73 ' HG3' ' H ' ' A' ' 24' ' ' GLU . 17.8 pttp 175.83 -73.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.647 -0.706 . . . . 75.25 110.273 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 22.4 mt-10 -81.49 23.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 72.35 111.199 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -71.7 -169.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.977 -0.556 . . . . 75.33 109.985 178.354 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HA ' ' N ' ' A' ' 44' ' ' THR . 3.1 ptm180 -58.04 119.35 6.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.083 -0.34 . . . . 70.31 110.083 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -99.25 178.23 4.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.896 -0.721 . . . . 74.2 111.161 -176.398 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.77 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -111.32 132.25 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.607 -0.724 . . . . 71.42 112.203 -164.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 119.96 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.482 -0.933 . . . . 74.32 108.482 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.1 p90 -138.07 147.23 43.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.493 0.663 . . . . 75.21 112.54 -174.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HE3' ' HD3' ' A' ' 81' ' ' ARG . 4.8 mptt -133.55 176.82 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.076 -0.965 . . . . 73.12 109.865 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG12 ' CE1' ' A' ' 122' ' ' TYR . 28.1 mm -88.71 131.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.307 0.575 . . . . 73.34 111.424 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.487 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.0 t70 -125.42 115.43 20.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.25 -0.886 . . . . 74.45 108.961 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 67.5 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.458 0.474 . . . . 72.21 110.972 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -150.5 18.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.465 0.65 . . . . 71.44 110.287 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -142.97 155.43 44.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.748 -0.464 . . . . 75.42 109.748 174.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.742 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.1 p -85.3 134.74 26.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.309 -0.405 . . . . 61.22 110.632 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.0 pt -121.08 160.41 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 54.41 111.148 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 28' ' ' ILE . 95.6 t -84.4 120.85 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.922 -0.581 . . . . 54.53 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -91.62 -51.07 5.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.907 -0.588 . . . . 75.14 110.158 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.33 145.92 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 45.31 111.858 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -129.17 92.2 3.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.439 -0.8 . . . . 62.11 108.948 170.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 47' ' ' GLN . 7.6 p -146.85 141.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 75.0 110.742 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.536 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 5.1 t -99.99 159.76 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.569 . . . . 70.31 109.465 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.618 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 27.9 pt20 -67.88 -23.02 65.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.479 -0.489 . . . . 54.44 110.23 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.47 -46.04 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.188 -0.914 . . . . 74.22 111.396 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 43' ' ' VAL . 3.1 pt20 -91.78 -11.61 36.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 72.22 112.543 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 3.8 pp -84.99 -14.51 47.24 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.128 -0.629 . . . . 70.43 110.874 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.87 -17.14 2.8 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.296 -0.954 . . . . 60.24 113.097 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG12 HD11 ' A' ' 48' ' ' LEU . 24.1 mm -86.45 167.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.222 -0.659 . . . . 65.21 109.222 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.455 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -63.92 -43.24 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.946 0.35 . . . . 74.31 111.946 -177.566 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.82 -65.17 0.6 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.017 -1.087 . . . . 74.03 113.955 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 8.3 t70 -65.97 130.67 44.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 122.304 0.241 . . . . 62.21 110.728 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.15 -65.73 0.65 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.434 0.901 . . . . 63.31 113.434 -167.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.604 ' CB ' ' HA ' ' A' ' 89' ' ' PHE . 2.0 t80 -122.28 -16.96 7.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.176 -0.609 . . . . 74.45 112.334 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.55 -34.02 41.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.836 -0.802 . . . . 74.34 108.836 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 1.2 t70 -93.99 -25.55 17.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.938 -1.028 . . . . 54.42 109.829 170.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t 77.98 52.8 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.708 -1.133 . . . . 63.33 111.248 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -76.93 2.24 15.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.721 0.772 . . . . 70.35 109.027 168.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 3.2 tmmm? -44.89 -28.48 0.66 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.119 -1.4 . . . . 74.34 111.825 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.15 -23.9 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.143 0.423 . . . . 63.5 112.143 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.009 0.433 . . . . 75.1 111.543 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -61.7 -22.9 65.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 74.11 111.611 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.49 -34.9 78.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 63.23 111.032 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.95 -31.74 19.25 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.524 -0.47 . . . . 75.43 111.159 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 70' ' ' VAL . 24.5 m-85 -57.83 -44.57 86.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.87 0.322 . . . . 72.25 111.87 -177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.694 HG12 ' HG3' ' A' ' 149' ' ' MET . 28.2 m -58.44 -30.33 40.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.438 . . . . 63.41 111.568 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -81.57 -45.88 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 54.11 110.153 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.621 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 6.7 t0 -55.24 -46.18 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.935 -0.765 . . . . 63.21 108.935 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.3 t -56.74 -46.38 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.268 -0.878 . . . . 74.21 111.503 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -78.68 -29.89 45.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.01 -1.076 . . . . 65.31 110.983 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -70.12 -38.32 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.619 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -84.0 -13.52 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.882 -178.345 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -83.77 -37.35 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.034 -0.266 . . . . 72.02 111.118 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 68.5 -73.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.661 0.615 . . . . 64.43 112.661 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.76 -4.78 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.822 0.305 . . . . 74.32 111.822 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.9 mt 61.97 21.19 12.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.571 0.544 . . . . 72.4 111.752 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -96.14 30.02 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.897 0.379 . . . . 62.42 111.245 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -102.98 142.54 33.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 75.23 111.054 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.9 m -143.84 139.68 29.41 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.733 -1.21 . . . . 65.3 107.733 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 109' ' ' ILE . 13.3 ptp180 -162.94 175.86 10.75 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.307 -0.557 . . . . 52.44 111.245 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 126' ' ' ALA . 47.7 m-85 -124.47 129.1 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 75.31 110.042 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.39 136.62 43.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.401 -0.592 . . . . 51.44 109.401 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.683 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.8 t -123.31 130.32 74.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.531 -0.467 . . . . 65.13 111.364 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.82 143.49 45.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.582 -0.735 . . . . 75.01 109.447 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.697 ' HB2' HD21 ' A' ' 18' ' ' LEU . 11.8 t70 -99.66 100.16 11.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.884 -1.154 . . . . 75.24 107.884 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 105' ' ' ILE . 6.1 m-85 -99.55 141.56 32.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 61.1 111.782 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.97 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 4.0 ttpp -119.41 117.53 28.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.289 -0.869 . . . . 75.11 110.831 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 4.2 p90 -121.59 172.98 7.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.581 -0.736 . . . . 64.35 110.23 -174.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 21.7 p -132.41 132.22 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.079 -0.509 . . . . 63.15 110.481 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -129.22 142.81 50.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.249 -0.432 . . . . 74.01 109.902 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -60.38 117.22 4.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.401 . . . . 54.42 111.35 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.578 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 56.6 ttt180 -88.76 136.33 33.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 73.04 109.591 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.92 114.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.152 0.501 . . . . 71.24 111.097 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.88 13.78 81.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.908 -0.663 . . . . 73.11 112.584 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.72 -166.56 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.36 -0.237 . . . . 73.24 110.36 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.66 -142.77 10.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.977 -0.63 . . . . 60.21 112.579 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 25.8 p -88.44 118.29 27.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.885 0.374 . . . . 73.51 111.366 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 90' ' ' THR . 16.0 m -70.11 113.46 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 74.51 109.745 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HD2' ' A' ' 88' ' ' LYS . 28.1 ttpt -100.98 112.82 25.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.26 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.5 mtt -131.41 139.71 49.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 63.33 110.469 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.97 ' HB3' ' HB2' ' A' ' 88' ' ' LYS . 1.4 p30 -125.54 130.21 51.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 64.01 110.259 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.901 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -162.35 154.24 18.69 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.985 0.898 . . . . 73.25 112.555 177.001 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.66 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 3.7 tt -76.48 128.89 37.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 113.709 -1.587 . . . . 64.44 112.011 -174.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.758 HG22 ' HB2' ' A' ' 139' ' ' LEU . 24.6 pt -123.09 135.94 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.501 -0.772 . . . . 75.25 111.021 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HE1' HG21 ' A' ' 138' ' ' ILE . 41.3 m-85 -87.87 114.14 24.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.419 -0.809 . . . . 71.42 110.376 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.1 102.5 14.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.112 -0.699 . . . . 64.33 109.112 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -97.22 113.42 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 73.34 110.523 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.745 HD12 ' HG2' ' A' ' 81' ' ' ARG . 58.1 mt -86.28 109.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.548 -0.538 . . . . 74.43 109.548 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 119' ' ' LYS . 50.5 t -140.62 87.36 11.55 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.541 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.0 Cg_exo -65.39 137.29 50.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.877 2.384 . . . . 73.32 111.309 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.31 -55.72 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.163 -0.31 . . . . 73.31 110.163 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 44.63 3.35 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.782 -0.645 . . . . 75.41 112.199 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -102.89 176.6 5.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.746 0.308 . . . . 65.11 110.307 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 52.8 m -66.33 103.92 1.11 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.751 -0.659 . . . . 70.24 110.36 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 120' ' ' MET . 86.1 mt -53.44 -43.12 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 42.23 112.631 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -52.92 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.738 -0.385 . . . . 65.3 111.84 -174.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.658 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 22.1 ptmt -68.48 -34.43 75.91 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 74.54 110.169 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.653 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 36.2 ttpt -70.66 -32.36 69.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.213 0.53 . . . . 70.33 109.669 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.9 ttt -64.77 -34.0 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 74.4 109.904 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.58 -47.88 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.075 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.491 ' CE1' HG12 ' A' ' 32' ' ' ILE . 56.9 m-85 -62.8 -39.39 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.832 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.11 -32.43 69.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.516 . . . . 42.14 110.831 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 m -77.12 -18.22 58.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 71.35 110.334 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 32' ' ' ILE . 13.6 m -79.77 -30.29 40.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 75.23 110.9 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -52.96 -45.02 67.56 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.904 0.383 . . . . 74.33 110.993 176.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.27 92.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.907 -0.588 . . . . 65.24 110.819 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.52 47.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.942 -0.572 . . . . 73.12 111.546 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.445 HD11 HG11 ' A' ' 11' ' ' VAL . 3.5 tp -62.16 -32.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.165 0.507 . . . . 73.41 110.756 -175.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -72.87 -40.45 65.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.126 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.0 m -68.05 -40.38 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 73.01 110.772 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 7' ' ' VAL . 15.6 p -66.56 -26.92 67.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.614 -0.266 . . . . 74.45 111.23 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.559 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.9 mp -95.89 -15.41 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.862 -0.335 . . . . 73.13 111.129 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.4 26.62 74.38 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.99 -0.55 . . . . 63.02 112.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.5 m 68.07 -76.82 0.05 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.802 0.441 . . . . 75.12 110.846 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.31 78.45 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.08 -0.581 . . . . 74.24 112.748 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? 60.63 91.65 0.05 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.113 0.565 . . . . 73.14 111.148 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 104' ' ' ILE . 2.6 pp -134.68 169.06 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.759 -0.655 . . . . 73.1 110.829 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.758 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.0 mm? -117.9 146.66 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 74.25 108.962 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.04 131.93 31.39 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 72.03 109.828 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 105' ' ' ILE . 51.2 p90 -137.28 143.09 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.181 -0.463 . . . . 71.01 110.248 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -103.18 124.71 49.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 74.04 110.414 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.6 m -115.48 140.13 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.257 -0.429 . . . . 71.0 110.681 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.498 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.5 m -122.59 -33.97 3.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.92 -0.582 . . . . 75.2 109.944 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -107.81 154.76 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 53.12 110.222 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -71.88 -21.7 61.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.05 0.389 . . . . 55.31 112.05 -175.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 49.5 m -74.01 -17.56 60.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.954 0.406 . . . . 73.02 110.813 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.26 -22.84 28.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.908 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.694 ' HG3' HG12 ' A' ' 67' ' ' VAL . 22.9 ptp -96.16 14.43 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 73.53 110.199 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.5 m -81.1 167.08 20.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 71.11 110.538 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.409 ' CB ' ' HG2' ' A' ' 60' ' ' LYS . 2.5 p-80 -63.62 -29.87 71.05 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.082 0.771 . . . . 74.1 113.082 -172.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -65.92 -45.19 82.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.872 -0.331 . . . . 75.24 110.987 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 20.6 mm-40 -72.24 -30.82 65.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.801 0.297 . . . . 61.42 111.801 -176.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.97 -46.3 88.37 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.669 -0.493 . . . . 62.33 109.669 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.515 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.5 tt -62.91 -40.38 97.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 71.44 109.792 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -55.52 -55.13 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 71.01 111.422 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 42.1 mmtt -69.03 -39.31 79.29 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 60.52 110.248 -175.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.09 -15.05 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 72.11 110.442 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.69 -44.06 3.76 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.087 -0.577 . . . . 44.0 112.365 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -70.95 -12.48 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.573 -0.369 . . . . 72.12 111.506 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -74.97 -17.88 60.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 72.43 111.455 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.544 ' HE1' ' HZ ' ' A' ' 89' ' ' PHE . 15.4 p90 . . . . . 0 C--N 1.332 -0.181 0 C-N-CA 120.618 -0.433 . . . . 74.14 111.516 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.244 -1.021 . . . . 62.01 108.244 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -92.76 14.04 18.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.911 -1.04 . . . . 64.45 110.466 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.64 67.1 1.32 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.589 -1.005 . . . . 54.4 110.589 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 36' ' ' LYS . 98.4 t -56.9 127.25 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.218 0.532 . . . . 75.43 110.307 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 54.2 mtt -98.53 158.76 15.4 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.519 -0.764 . . . . 62.32 109.312 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.804 ' HB ' HG21 ' A' ' 11' ' ' VAL . 34.6 m -109.29 131.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 116.395 -0.366 . . . . 62.53 110.042 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' A' ' 38' ' ' ILE . 15.7 t70 -61.52 136.97 94.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.377 -0.601 . . . . 43.42 109.377 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -29.68 6.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.386 2.724 . . . . 72.53 114.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -82.13 -14.59 55.5 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.349 0.5 . . . . 71.11 112.349 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 ' HB ' ' A' ' 7' ' ' VAL . 33.1 m -59.45 -49.43 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.404 -0.518 . . . . 74.24 111.483 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.75 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 49.0 mt-30 -73.56 -26.54 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 72.3 110.377 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -65.35 -41.67 93.61 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.818 -0.628 . . . . 73.12 109.713 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -71.35 -27.97 63.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 72.13 111.424 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.75 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 24.2 m-85 -59.38 -57.99 10.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 73.33 109.83 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.27 -38.13 85.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 73.14 110.588 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 35.4 ttmt -45.4 -50.67 12.18 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.268 -0.878 . . . . 71.35 112.16 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.27 -34.8 18.79 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.974 -0.29 . . . . 74.32 111.183 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -69.38 -35.68 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.409 0.522 . . . . 51.4 112.409 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -11.17 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.503 -0.479 . . . . 73.34 110.868 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.74 -89.38 0.42 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 109.917 -1.273 . . . . 72.43 109.917 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 99.2 mtt180 -108.47 -73.11 0.7 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.103 -1.073 . . . . 70.33 108.103 164.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 20.4 pttp 139.71 -32.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.721 2.008 . . . . 65.32 109.392 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 18.0 mp0 -84.14 0.73 47.43 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.72 0.772 . . . . 71.03 109.11 172.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -106.63 126.89 52.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.75 -1.114 . . . . 74.54 109.573 -176.348 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 1.046 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 14.9 ttt180 68.25 116.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.286 0.991 . . . . 72.23 110.399 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -104.36 168.32 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.615 -0.434 . . . . 62.52 110.652 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 39' ' ' VAL . 10.6 tp -133.7 137.1 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.355 0.597 . . . . 62.52 111.422 -171.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.71 135.59 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 51.5 110.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB2' ' HB3' ' A' ' 82' ' ' TYR . 92.5 m-85 -116.46 136.62 52.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 74.33 110.717 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . 3.5 tptm -127.01 160.72 30.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.239 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.486 HD11 ' OG ' ' A' ' 125' ' ' SER . 18.7 mm -99.12 122.48 50.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.319 0.58 . . . . 72.02 110.641 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 11.5 t70 -124.08 141.28 52.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.595 -1.261 . . . . 52.13 107.595 173.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 59.26 -97.44 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 61.22 110.19 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -147.15 22.02 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.575 . . . . 74.24 110.306 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -136.98 159.4 41.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.537 -0.302 . . . . 71.45 110.295 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 32' ' ' ILE . 9.5 p -92.49 132.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.379 0.609 . . . . 74.24 110.909 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.722 HG22 ' HB2' ' A' ' 8' ' ' ASP . 50.8 pt -126.83 171.41 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 73.34 110.516 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 28' ' ' ILE . 2.2 p -84.77 119.34 33.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.001 -0.545 . . . . 72.4 109.825 174.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 42.7 tt0 -86.86 -51.4 6.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 73.34 110.498 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.89 151.55 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 71.04 111.28 -172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.57 74.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.75 -0.833 . . . . 73.43 108.75 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.16 122.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.789 . . . . 63.25 111.305 -173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 1.046 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 1.7 t -114.82 148.43 38.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.056 175.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.6 pt20 -82.16 -18.32 43.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.252 -0.431 . . . . 72.5 111.124 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -44.74 79.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.588 -0.278 . . . . 70.41 110.631 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.931 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.6 pt20 -78.2 -23.26 47.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.262 0.553 . . . . 73.13 109.801 175.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.637 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 48.6 tp -65.4 -21.01 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.203 -0.908 . . . . 73.45 110.63 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.94 7.63 25.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.383 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' THR . 13.1 mm -90.33 171.98 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 62.21 108.943 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.7 p -71.71 -68.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -171.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.34 -75.79 0.03 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.274 -1.441 . . . . 61.34 114.545 -176.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 m-20 -108.45 139.92 42.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.801 0.301 . . . . 61.22 110.636 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 59' ' ' SER . 24.9 t70 -57.43 -63.94 1.06 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.947 0.721 . . . . 75.1 112.947 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.534 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -104.53 -19.1 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.969 -0.693 . . . . 73.34 111.301 -173.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.55 ' HB2' ' HD2' ' A' ' 88' ' ' LYS . 35.7 t70 -84.04 -26.72 28.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.244 0.545 . . . . 73.25 110.737 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 33.6 t70 -124.75 11.03 8.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.774 0.797 . . . . 73.13 109.884 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p 49.06 68.57 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.935 -1.03 . . . . 72.31 112.718 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 50' ' ' ILE . 19.8 m -109.0 9.8 26.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.336 -0.847 . . . . 71.44 109.147 174.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -52.35 -25.62 10.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.457 -1.247 . . . . 72.45 112.528 -178.215 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.83 41.29 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.341 . . . . 65.11 111.316 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -49.94 70.09 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.0 110.618 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 85.7 m-85 -73.58 -23.44 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.281 0.562 . . . . 65.31 110.375 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 67' ' ' VAL . 20.4 t70 -63.56 -49.57 72.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.251 -0.886 . . . . 70.14 110.438 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.7 ptmt -78.57 -15.76 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 72.31 111.028 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 63' ' ' PHE . 4.3 m-30 -62.87 -29.46 70.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.182 -0.207 . . . . 74.43 111.502 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 64' ' ' ASP . 17.3 m -61.79 -24.36 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.087 0.47 . . . . 64.11 110.284 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.46 -57.94 2.94 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.956 -0.566 . . . . 65.12 110.307 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -47.57 -41.62 21.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.993 -1.003 . . . . 65.04 110.355 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -54.64 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.383 -0.826 . . . . 53.44 111.661 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 16.9 pttm -74.29 -21.59 59.67 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 119.12 -1.032 . . . . 75.13 111.826 -166.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -57.31 -52.05 66.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.005 0.431 . . . . 42.41 110.42 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 73' ' ' ARG . 7.6 ppt_? -86.14 -5.19 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.511 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.573 ' HB ' ' HA ' ' A' ' 71' ' ' LYS . 54.2 m -83.07 -35.69 25.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.535 -0.302 . . . . 54.12 111.09 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 69.54 -80.91 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.026 0.75 . . . . 74.14 113.026 170.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.52 10.65 37.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 74.35 110.844 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 85.3 mt 66.65 28.36 9.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.483 0.659 . . . . 63.21 110.308 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -83.77 12.03 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.305 -0.861 . . . . 71.34 110.24 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 74' ' ' THR . 32.5 t70 -77.01 140.95 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 74.41 110.909 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.09 134.08 10.27 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.833 -0.803 . . . . 71.24 108.833 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.585 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 7.0 ptt180 -164.54 166.02 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.79 -174.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.614 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t80 -111.28 127.89 55.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.355 -0.98 . . . . 74.55 108.355 173.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -126.83 143.37 51.28 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.773 -0.371 . . . . 73.21 110.926 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.25 122.53 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.971 0.415 . . . . 74.52 110.46 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 105' ' ' ILE . 36.8 m-85 -136.3 121.48 19.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.799 -0.637 . . . . 64.4 109.708 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.743 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 t70 -86.39 99.1 11.38 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.192 -1.41 . . . . 65.33 107.192 168.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 145.15 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.069 -0.514 . . . . 73.32 109.864 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.912 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 7.2 pttt -124.14 153.75 41.06 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.403 0.62 . . . . 74.02 111.069 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.69 ' CD2' ' HG ' ' A' ' 155' ' ' LEU . 14.9 p90 -146.74 -175.82 4.95 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.513 -1.221 . . . . 65.34 108.739 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 p -128.41 130.5 47.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.087 0.47 . . . . 74.05 111.308 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.08 123.44 40.83 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.802 -0.814 . . . . 72.23 108.802 173.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 p -80.7 113.48 18.93 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.305 -0.407 . . . . 75.12 110.041 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.887 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 23.0 mtt180 -65.08 137.23 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.308 -0.627 . . . . 75.41 109.308 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.1 112.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 110.082 -0.34 . . . . 74.14 110.082 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.27 79.02 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.921 -0.581 . . . . 63.32 113.163 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 93' ' ' ARG . . . -146.66 -163.24 1.71 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.177 0.489 . . . . 74.31 111.064 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.59 -154.82 18.81 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.09 -0.576 . . . . 74.34 113.37 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -107.39 140.86 39.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.403 . . . . 53.3 111.23 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.9 m -117.42 117.12 28.61 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.527 -0.545 . . . . 75.24 109.527 173.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -76.21 148.45 37.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.45 -0.5 . . . . 73.23 109.681 177.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.24 128.64 14.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.331 0.586 . . . . 73.3 109.455 172.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.912 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 2.2 p-10 -123.87 143.81 50.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.764 -1.107 . . . . 73.45 110.596 -171.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -165.34 135.08 3.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.888 0.375 . . . . 74.43 110.744 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.9 tt -59.67 121.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.258 -0.883 . . . . 71.0 110.874 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 85' ' ' PHE . 32.1 pt -106.31 137.55 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 73.32 110.339 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.585 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 70.5 m-85 -101.51 109.54 21.38 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.52 -0.764 . . . . 73.0 109.935 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 31.9 tp -92.73 104.32 16.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 52.23 110.62 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.82 ' HB3' ' HG2' ' A' ' 142' ' ' GLN . 25.9 tp60 -100.82 100.64 11.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.556 -0.747 . . . . 71.3 109.387 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.2 mt -89.04 104.64 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 61.14 110.388 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 73.5 m -125.4 83.3 61.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 75.34 111.158 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.667 ' HA ' ' HB2' ' A' ' 144' ' ' SER . 4.8 Cg_endo -51.57 125.19 16.09 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.224 2.616 . . . . 71.52 111.693 174.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.73 -51.6 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.32 109.917 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.28 65.63 3.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.447 -0.661 . . . . 42.11 111.447 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -137.17 177.74 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.243 -0.281 . . . . 74.52 110.243 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -68.38 95.21 0.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 43.21 110.847 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.428 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 73.3 mt -56.28 -36.01 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.699 -0.682 . . . . 70.21 112.315 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -58.1 -55.41 35.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.605 -0.271 . . . . 71.03 111.69 -176.275 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 118' ' ' LYS . 19.2 ptmt -83.91 -23.04 31.37 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.787 -0.365 . . . . 74.21 110.859 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 37.4 ttpt -67.35 -35.75 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 73.32 109.7 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.669 -0.696 . . . . 75.0 109.639 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.18 -41.92 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 71.14 110.075 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 22.6 m-85 -67.39 -33.91 76.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.21 111.167 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.09 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.228 0.537 . . . . 53.23 110.298 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.4 m -74.24 -16.61 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 75.4 110.676 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.486 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.5 m -68.8 -29.63 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.938 -0.393 . . . . 60.42 109.938 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB2' ' OE1' ' A' ' 108' ' ' GLN . . . -61.83 -42.85 99.55 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.979 -0.555 . . . . 64.32 110.058 174.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.59 94.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.658 -0.701 . . . . 70.14 110.535 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.18 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 62.44 111.038 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -35.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 61.24 111.157 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -70.11 -38.64 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 64.04 110.368 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.3 m -73.73 -38.27 64.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.883 0.373 . . . . 73.12 111.348 -176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.5 p -69.07 -52.23 30.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.312 -0.404 . . . . 32.13 111.699 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.48 -27.54 24.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.629 -0.428 . . . . 60.4 111.685 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.7 47.55 52.29 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 121.113 -0.565 . . . . 63.15 112.515 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -67.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.937 0.347 . . . . 41.2 111.937 -173.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.49 -30.43 8.3 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.85 -0.69 . . . . 72.24 112.606 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -122.75 104.32 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.447 0.641 . . . . 62.54 109.855 175.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.85 166.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.672 -0.695 . . . . 74.23 112.017 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.67 HD11 ' HE3' ' A' ' 161' ' ' LYS . 2.9 mm? -120.79 99.54 6.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.174 -0.676 . . . . 72.31 109.174 168.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -109.9 113.44 26.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.581 -0.736 . . . . 60.24 109.72 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 107' ' ' LEU . 8.5 p90 -113.74 123.97 51.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.168 0.508 . . . . 73.21 109.921 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.82 ' HG2' ' HB3' ' A' ' 108' ' ' GLN . 76.0 mt-30 -99.28 107.61 19.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 61.3 110.287 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 149' ' ' MET . 34.8 m -114.78 162.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 75.12 110.391 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 111' ' ' PRO . 6.1 p -134.77 6.52 3.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.1 -0.5 . . . . 73.33 110.757 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -132.71 154.94 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.836 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -31.73 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 73.5 111.831 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -76.32 -25.71 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.061 0.458 . . . . 64.43 109.967 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.35 -21.75 49.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 74.51 111.356 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 143' ' ' VAL . 27.1 ptt? -102.81 13.31 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.161 0.505 . . . . 64.55 110.391 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.2 m -75.31 156.37 35.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 74.01 110.811 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 9.3 p80 -55.82 -37.13 68.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.54 0.57 . . . . 73.22 112.54 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -60.76 -39.76 89.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 71.11 110.513 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.554 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 72.7 mm-40 -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.828 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.95 -43.08 91.2 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.373 -0.603 . . . . 62.31 109.373 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.69 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 7.6 tt -64.35 -47.13 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.119 -0.946 . . . . 73.15 109.683 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.72 -53.64 56.13 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.988 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' ' 153' ' ' GLU . 10.0 mptt -54.8 -48.72 72.39 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.474 0.654 . . . . 73.23 111.462 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.553 ' HG ' ' HG ' ' A' ' 139' ' ' LEU . 5.3 tt -71.21 -36.57 71.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.254 -0.885 . . . . 72.31 110.722 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -79.79 -39.28 17.69 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.155 -0.545 . . . . 52.24 113.878 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -30.7 67.82 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.679 0.622 . . . . 72.32 112.679 -171.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD11 ' A' ' 139' ' ' LEU . 3.2 pptp? -72.7 -21.84 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 73.4 111.012 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 73.12 111.655 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.955 0.407 . . . . 75.24 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -124.89 17.49 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.176 0.512 . . . . 74.53 110.626 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.02 50.51 1.75 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 63.51 111.65 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 36' ' ' LYS . 57.6 t -60.6 123.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.708 -0.479 . . . . 72.34 109.708 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 93.6 mmm -100.63 169.43 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.23 0.538 . . . . 73.31 111.516 -173.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG12 ' CG1' ' A' ' 37' ' ' VAL . 30.2 m -117.85 120.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.382 -0.826 . . . . 75.31 108.972 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 143.17 87.02 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 120.896 -0.322 . . . . 75.32 110.471 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.3 -31.81 18.21 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.7 2.933 . . . . 74.53 113.835 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.23 -30.93 68.62 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.715 0.265 . . . . 65.24 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.73 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 72.44 110.352 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 52.9 mt-30 -64.17 -31.83 73.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 74.42 111.353 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -62.43 -43.37 98.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.898 0.38 . . . . 72.24 110.707 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 m -66.16 -36.84 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 23.23 110.192 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CD2' HD11 ' A' ' 133' ' ' LEU . 31.3 m-85 -63.62 -31.07 72.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.034 -0.53 . . . . 72.44 111.367 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 32.0 mm-40 -68.53 -55.19 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 72.23 110.64 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.643 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 18.6 ptmt -68.68 -21.49 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.575 -0.284 . . . . 72.03 111.628 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 23' ' ' LYS . 11.8 tp -65.66 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.428 -0.582 . . . . 75.44 109.428 169.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -68.37 -30.67 69.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.91 0.707 . . . . 65.23 112.91 -171.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 11.4 pt-20 -67.05 -34.1 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.944 0.72 . . . . 73.34 112.944 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.71 -8.72 0.21 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 119.222 -1.466 . . . . 73.1 114.621 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 3.6 mmp_? -109.37 -57.35 2.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.031 0.916 . . . . 64.34 111.619 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HD11 ' A' ' 18' ' ' LEU . 1.6 mtpm? 69.12 -73.45 0.09 Allowed 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.032 0.833 . . . . 73.13 111.268 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 88' ' ' LYS . 18.9 mp0 -98.38 21.25 11.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.79 0.329 . . . . 74.12 110.427 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 96.1 m-85 -134.69 138.68 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.122 -0.231 . . . . 73.41 110.883 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 17.3 mtp180 67.23 117.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.236 0.96 . . . . 64.12 110.675 -174.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 20.3 p90 -106.02 150.2 25.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.583 -178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.515 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.6 tp -108.74 123.19 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.368 0.604 . . . . 75.13 110.792 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.0 mm -115.02 133.88 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.292 -0.867 . . . . 72.41 109.175 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 37' ' ' VAL . 2.0 p90 -143.19 151.35 40.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.44 . . . . 54.12 111.641 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.3 mptm? -127.71 162.18 27.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 52.24 110.709 -177.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.486 HD13 ' HB ' ' A' ' 37' ' ' VAL . 32.8 mm -85.99 127.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 71.34 110.427 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.9 t70 -145.37 147.6 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.408 -0.59 . . . . 74.02 109.408 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 64.4 -81.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.448 0.467 . . . . 74.3 110.908 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -160.17 9.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.691 -0.686 . . . . 75.1 109.785 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.594 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -141.28 -178.17 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.42 109.662 -178.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.4 p -106.32 132.99 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.856 0.36 . . . . 71.32 110.925 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.594 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -119.24 164.79 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.326 -0.397 . . . . 55.41 110.429 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.6 134.54 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 62.02 111.39 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -102.76 -58.51 1.86 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 60.4 109.918 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.74 35.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 73.24 111.125 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -145.59 78.3 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.433 -0.803 . . . . 62.41 109.053 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.6 151.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.854 -0.612 . . . . 61.13 110.486 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -89.72 149.26 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.044 0.449 . . . . 63.22 110.999 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.795 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.9 pt20 -78.38 -18.8 54.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 72.45 110.969 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -69.15 -31.91 70.89 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.718 0.294 . . . . 73.11 110.906 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.4 pt20 -91.31 -18.32 24.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.304 0.573 . . . . 75.15 109.964 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.795 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 15.9 tp -65.64 -24.04 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.409 -0.814 . . . . 74.54 111.036 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.51 -3.17 6.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.818 -0.706 . . . . 64.14 111.99 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG22 ' H ' ' A' ' 51' ' ' THR . 8.4 mm -98.94 169.37 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.899 -0.778 . . . . 44.21 108.899 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.509 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.29 -55.58 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.434 0.531 . . . . 75.42 112.434 -177.093 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.34 -66.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.414 -1.374 . . . . 73.23 114.379 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -77.52 134.97 38.18 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.895 0.379 . . . . 72.03 111.719 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.591 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 17.6 t70 -56.14 -60.76 3.03 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.765 -0.652 . . . . 72.43 112.75 -174.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.754 ' HB2' ' HA ' ' A' ' 89' ' ' PHE . 25.0 t80 -101.86 -36.61 8.59 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.208 -0.597 . . . . 70.34 111.342 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.09 -27.42 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.224 0.535 . . . . 73.21 110.21 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.1 5.63 7.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 53.33 110.581 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m 53.04 33.03 13.97 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.912 -0.585 . . . . 75.31 111.682 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.531 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 70.5 m -68.22 -10.22 52.88 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.429 0.529 . . . . 43.53 112.429 -174.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.621 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -59.0 -22.68 61.03 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.44 -0.578 . . . . 75.33 109.44 172.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 151' ' ' HIS . . . -48.22 -22.05 0.6 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.687 -0.688 . . . . 65.4 111.877 173.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -51.71 -32.36 29.92 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.694 0.283 . . . . 70.31 111.181 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 67' ' ' VAL . 63.7 m-85 -67.96 -23.21 65.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.619 0.247 . . . . 73.32 111.392 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.49 -42.95 97.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.055 0.455 . . . . 64.41 110.499 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptmt -84.92 -16.32 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.556 . . . . 71.32 110.873 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.556 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 9.5 m-85 -80.39 -21.22 42.51 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.107 -0.237 . . . . 72.34 111.19 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' PHE . 89.7 t -58.73 -37.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.418 -0.586 . . . . 61.21 109.418 170.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -66.77 -36.72 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.384 -0.826 . . . . 73.34 110.37 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.88 -51.92 67.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.1 0.476 . . . . 72.12 110.079 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 66' ' ' PHE . 60.0 t -56.21 -59.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.188 -0.915 . . . . 63.42 111.307 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -24.83 67.52 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 74.32 112.318 -173.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.3 m -76.41 -41.68 46.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.003 -0.279 . . . . 64.42 110.999 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -86.55 -8.45 57.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.352 . . . . 74.5 111.721 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 p -98.13 -68.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.665 -0.414 . . . . 73.34 111.837 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.11 -69.88 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.952 0.782 . . . . 74.34 109.348 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -113.42 98.42 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.65 -1.241 . . . . 43.42 107.65 167.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 77' ' ' LEU . 1.9 pt? -49.28 100.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.781 0.8 . . . . 71.54 112.874 -169.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.8 m -120.22 -5.42 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.127 -0.942 . . . . 74.31 109.052 174.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.28 142.2 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.921 -1.036 . . . . 73.21 110.096 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.634 ' SG ' ' HE2' ' A' ' 118' ' ' LYS . 9.8 p -155.42 144.5 20.81 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.302 -0.629 . . . . 72.14 109.302 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -147.75 166.87 26.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.673 -0.239 . . . . 74.14 110.959 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.3 t80 -115.91 130.56 56.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 73.42 109.306 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.47 51.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.46 -0.336 . . . . 62.43 110.84 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 15' ' ' PHE . 92.5 t -133.52 134.52 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.529 -0.305 . . . . 72.14 110.714 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -139.35 140.85 37.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.03 110.097 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.638 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 7.4 t70 -100.94 99.62 10.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.133 -1.062 . . . . 72.15 108.133 169.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.57 132.68 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.696 -0.683 . . . . 63.52 111.835 -175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 31.7 ttmt -104.86 108.75 20.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 71.4 109.802 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.754 ' HA ' ' HB2' ' A' ' 55' ' ' TYR . 7.3 p90 -119.74 -172.6 2.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.666 -0.494 . . . . 64.2 109.666 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 23.3 p -106.87 134.01 50.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 64.21 110.652 175.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.24 112.76 24.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.384 -0.598 . . . . 74.11 109.384 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.646 ' HA ' HG22 ' A' ' 98' ' ' THR . 14.8 m -70.45 108.1 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.697 -0.683 . . . . 74.04 110.822 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -99.08 120.82 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 75.5 110.359 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.07 121.27 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 74.44 110.984 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.87 -2.46 76.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.015 -0.612 . . . . 33.14 111.974 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.87 -159.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.595 0.236 . . . . 72.44 110.404 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.13 166.8 12.73 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.927 -0.654 . . . . 75.12 111.659 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.4 p -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.757 0.313 . . . . 72.14 110.883 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -100.13 135.6 41.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.358 -0.383 . . . . 71.12 110.224 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.6 mtmt -71.25 130.97 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.414 0.626 . . . . 64.11 111.234 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.5 ttt -143.6 131.82 21.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.972 -1.013 . . . . 74.34 109.668 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.602 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.3 p30 -104.51 146.43 28.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.014 -0.539 . . . . 73.21 110.962 -177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -167.19 155.11 9.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.809 0.814 . . . . 72.43 112.51 166.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.686 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 3.7 tt -85.88 138.04 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.372 -1.286 . . . . 74.04 112.305 -171.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.796 HG22 ' HB2' ' A' ' 139' ' ' LEU . 38.2 pt -125.44 153.09 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 71.32 110.712 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.464 ' HB2' ' HG2' ' A' ' 140' ' ' GLN . 60.2 m-85 -103.46 110.65 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.138 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.7 102.52 15.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 73.34 109.872 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.524 HE21 ' HG2' ' A' ' 142' ' ' GLN . 28.8 tt0 -113.62 116.02 28.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 70.02 110.961 173.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -99.23 103.05 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.472 0.654 . . . . 63.21 110.031 171.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.4 p -122.7 96.78 45.08 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.526 -0.761 . . . . 44.03 110.297 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.902 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 35.5 Cg_exo -60.66 142.21 97.21 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.925 2.416 . . . . 65.1 112.379 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.43 -56.99 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 50.44 110.12 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.0 62.17 4.23 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.906 -0.588 . . . . 64.11 111.889 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.902 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -119.81 175.69 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.888 0.375 . . . . 63.51 110.89 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 m -65.51 103.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 74.04 110.583 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.89 -34.2 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.675 0.609 . . . . 74.23 111.815 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.5 mttm -52.36 -60.63 2.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.625 -0.261 . . . . 62.12 111.462 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.634 ' HE2' ' SG ' ' A' ' 80' ' ' CYS . 20.2 ptmt -83.5 -27.06 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 54.24 110.876 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.49 -37.46 86.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.807 -0.633 . . . . 74.31 110.97 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -35.17 61.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 73.32 110.241 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 117' ' ' LYS . 64.7 t -64.11 -38.16 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.886 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.421 ' HA ' ' OG ' ' A' ' 125' ' ' SER . 14.2 m-85 -66.4 -36.56 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.668 0.271 . . . . 73.31 110.824 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.85 68.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 63.22 110.342 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -80.34 -43.13 21.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.749 -0.66 . . . . 72.3 110.948 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.452 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -70.64 -19.39 62.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 64.24 111.36 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.171 0.51 . . . . 73.21 110.351 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.44 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 63.41 110.678 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.66 59.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.125 -0.488 . . . . 75.41 111.179 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.5 tp -61.94 -35.54 68.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.336 -0.393 . . . . 53.12 110.826 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -79.04 -25.74 43.2 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.009 -0.277 . . . . 72.43 111.095 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.3 m -79.7 -30.07 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.54 . . . . 73.14 110.145 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.6 m -72.33 -30.72 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 64.25 111.006 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 15' ' ' PHE . 10.2 mp -100.64 -25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.071 0.397 . . . . 71.12 112.071 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.69 -106.01 0.87 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.856 -0.688 . . . . 65.32 111.505 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 137' ' ' LYS . 20.2 m 62.2 -73.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.264 0.626 . . . . 71.55 112.569 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.39 -30.15 9.66 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.652 -0.579 . . . . 43.4 111.652 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 135' ' ' THR . 15.2 tppt? -87.51 71.28 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.583 -0.525 . . . . 63.11 109.583 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.552 HG22 HG23 ' A' ' 104' ' ' ILE . 2.4 pp -145.49 153.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.762 -0.653 . . . . 45.12 110.687 -177.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.796 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.2 mm? -121.85 104.37 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.106 0.479 . . . . 64.12 110.413 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.464 ' HG2' ' HB2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -97.85 106.5 18.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.126 -0.694 . . . . 72.25 109.126 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 105' ' ' ILE . 33.9 p90 -102.41 128.72 48.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.246 -0.434 . . . . 63.24 110.054 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.524 ' HG2' HE21 ' A' ' 108' ' ' GLN . 73.2 mt-30 -99.56 103.18 14.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.245 0.545 . . . . 73.53 110.702 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.756 HG23 HG22 ' A' ' 109' ' ' ILE . 30.7 m -117.47 171.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.417 -0.81 . . . . 74.43 109.943 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 111' ' ' PRO . 4.8 p -132.68 -41.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.477 0.547 . . . . 74.13 112.477 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -93.84 159.02 15.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 71.41 111.327 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' HB2' HG13 ' A' ' 67' ' ' VAL . 4.9 pt-20 -56.34 -34.34 66.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.595 -0.73 . . . . 75.4 111.637 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.1 m -68.95 -22.26 64.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.845 0.355 . . . . 64.31 110.905 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.602 ' CB ' ' HB ' ' A' ' 143' ' ' VAL . 52.7 mt-10 -87.37 -16.59 34.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.057 0.456 . . . . 73.4 111.139 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -105.51 13.06 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.468 0.652 . . . . 75.31 109.826 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.6 m -77.25 161.22 28.3 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.136 -0.938 . . . . 75.14 110.695 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 60' ' ' LYS . 3.3 p80 -63.44 -24.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.477 0.918 . . . . 72.32 113.477 -171.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -60.27 -60.11 4.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.468 0.544 . . . . 71.25 112.468 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 148' ' ' GLU . 10.5 pt-20 -77.85 -18.03 56.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.213 -0.595 . . . . 75.54 112.512 -170.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.4 -38.52 71.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.464 -0.569 . . . . 73.02 109.464 172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.625 HD11 ' HE2' ' A' ' 55' ' ' TYR . 6.3 tt -68.15 -49.93 57.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.4 -0.818 . . . . 73.43 109.47 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.673 ' O ' ' HG3' ' A' ' 160' ' ' GLU . 48.5 t30 -58.41 -58.13 9.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 75.34 111.338 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -20.81 65.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.436 0.532 . . . . 64.33 112.436 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.41 HD13 ' CG2' ' A' ' 105' ' ' ILE . 27.3 tp -82.69 -29.65 29.75 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.603 -0.439 . . . . 55.32 110.086 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.33 -35.24 5.31 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.6 -0.81 . . . . 51.55 115.029 -171.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.717 ' OE2' ' HG3' ' A' ' 161' ' ' LYS . 0.0 OUTLIER -50.25 -62.39 1.61 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.505 1.298 . . . . 41.13 114.505 -165.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.717 ' HG3' ' OE2' ' A' ' 160' ' ' GLU . 0.2 OUTLIER -64.28 -25.0 67.86 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.223 0.823 . . . . 64.45 113.223 -172.366 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.516 ' N ' ' HD2' ' A' ' 161' ' ' LYS . 11.0 m-85 . . . . . 0 C--N 1.327 -0.407 0 C-N-CA 120.571 -0.452 . . . . 70.0 111.156 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.601 0.715 . . . . 62.11 109.785 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -93.6 10.88 30.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.101 -0.954 . . . . 53.21 110.706 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.17 158.28 16.72 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.046 -0.597 . . . . 73.32 112.03 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.42 147.05 23.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.65 -0.5 . . . . 54.22 109.65 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.1 mmm -99.76 164.56 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.959 -0.386 . . . . 73.31 109.959 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 HG13 ' A' ' 37' ' ' VAL . 6.2 p -129.32 132.2 66.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.668 0.27 . . . . 64.53 110.946 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.28 127.22 89.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 73.24 109.877 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.78 -29.01 79.16 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.152 2.568 . . . . 74.23 113.872 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -74.34 -3.76 32.26 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.798 0.295 . . . . 75.23 111.798 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.634 HG13 ' HE1' ' A' ' 30' ' ' PHE . 19.3 t -59.01 -46.07 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.999 0.428 . . . . 61.02 109.944 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.2 -38.57 88.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 72.45 110.369 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 m -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 65.23 110.622 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 m -76.49 -30.26 57.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 64.4 111.392 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 133' ' ' LEU . 84.7 t80 -64.9 -44.4 89.74 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.878 0.371 . . . . 72.45 110.919 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 19' ' ' SER . 16.0 mm100 -61.46 -27.97 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.54 111.382 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 33.9 ttmt -56.52 -41.16 76.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.599 -0.728 . . . . 62.11 111.65 -174.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 27' ' ' TYR . 2.1 pt? -100.1 -28.16 13.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.295 -0.562 . . . . 75.12 110.598 175.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' GLN . 15.1 t -59.14 -45.07 91.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.203 -0.453 . . . . 52.35 112.141 -173.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.26 1.72 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.309 -0.556 . . . . 74.13 110.782 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.17 -135.03 7.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.74 -0.743 . . . . 62.41 112.111 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 62.5 mmt-85 -74.06 -6.68 49.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.519 0.192 . . . . 75.51 111.519 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.1 mppt? 69.61 -54.86 0.59 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.708 0.63 . . . . 73.11 110.801 -172.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 53' ' ' ASP . 43.2 mt-10 -80.13 14.91 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.497 0.665 . . . . 74.42 110.0 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' C ' ' HB ' ' A' ' 44' ' ' THR . 11.8 t80 -71.29 -179.4 2.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.344 -0.844 . . . . 63.25 108.772 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 29.6 ptt180 -57.91 121.09 9.7 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.255 -0.578 . . . . 75.12 111.106 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -98.9 179.21 4.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.725 -0.67 . . . . 71.31 111.379 -173.479 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' CD1' HG23 ' A' ' 39' ' ' VAL . 5.7 tp -107.21 130.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.222 -0.899 . . . . 71.53 112.195 -166.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.706 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 37.7 mm -112.02 130.12 66.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.448 -0.796 . . . . 74.22 109.573 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' HE2' HG23 ' A' ' 84' ' ' VAL . 92.2 m-85 -106.8 137.93 43.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 74.54 111.65 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -129.37 158.19 39.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 53.24 109.817 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 37' ' ' VAL . 33.3 mm -102.97 125.09 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.81 0.338 . . . . 70.51 110.704 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 20.5 t70 -122.87 127.0 48.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 73.24 109.621 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 66.06 -75.83 0.05 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.851 0.72 . . . . 65.31 111.005 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -163.8 19.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 72.13 110.845 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -139.8 156.22 46.86 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.916 -0.314 . . . . 61.21 110.319 178.153 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' HD13 ' A' ' 32' ' ' ILE . 7.1 p -87.75 133.82 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.903 0.382 . . . . 63.12 110.749 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.63 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.1 pt -122.84 156.25 28.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.102 0.477 . . . . 54.04 111.884 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 28' ' ' ILE . 1.5 p -84.24 109.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.397 -0.82 . . . . 71.33 109.841 172.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.87 -38.54 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.198 -0.456 . . . . 74.31 111.221 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -134.57 127.99 32.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.129 0.49 . . . . 52.42 111.802 -174.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.43 95.53 4.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.194 -0.912 . . . . 31.45 108.911 171.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.75 135.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.042 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.798 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 6.3 t -98.98 160.23 14.41 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.146 -0.687 . . . . 53.34 109.146 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HB2' HG13 ' A' ' 50' ' ' ILE . 27.0 pt20 -67.43 -26.75 66.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.225 0.536 . . . . 63.41 109.975 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.98 -52.04 64.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.464 -0.789 . . . . 63.44 111.35 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -75.09 -17.8 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 65.31 111.998 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.6 pp -91.5 -14.02 31.15 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.629 -0.428 . . . . 71.13 111.481 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.63 38.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.128 -1.034 . . . . 75.33 113.576 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.7 mm -122.1 159.58 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.164 -0.68 . . . . 60.14 109.164 177.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -65.99 -73.15 0.14 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.223 0.453 . . . . 75.44 112.223 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.02 -108.33 0.21 Allowed Glycine 0 CA--C 1.522 0.494 0 C-N-CA 119.403 -1.38 . . . . 73.25 114.474 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' OE2' ' A' ' 24' ' ' GLU . 3.2 m-20 -59.99 138.22 57.9 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.115 0.566 . . . . 71.31 112.413 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -49.35 -62.62 1.44 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 62.05 112.935 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.886 ' HD1' ' HE2' ' A' ' 60' ' ' LYS . 37.2 t80 -120.64 -23.4 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.857 -0.337 . . . . 75.02 110.56 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.93 -28.55 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.288 0.566 . . . . 65.02 110.086 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' SER . 17.7 t70 -118.72 -21.59 7.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.469 -0.787 . . . . 62.21 109.923 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 75.6 m 76.32 94.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.949 0.9 . . . . 42.13 111.123 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 50' ' ' ILE . 36.9 p -134.88 -19.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.524 -0.762 . . . . 42.04 112.144 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.886 ' HE2' ' HD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -51.79 -21.42 2.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.397 0.279 . . . . 70.23 111.533 -179.022 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HA ' ' NE2' ' A' ' 151' ' ' HIS . . . -42.79 -26.87 0.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.955 0.502 . . . . 73.45 112.15 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.45 -33.52 63.69 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.62 0.368 . . . . 72.42 111.685 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 67' ' ' VAL . 66.1 m-85 -64.44 -25.51 68.04 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.303 -0.248 . . . . 73.34 111.334 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.77 -37.04 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 73.52 111.182 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 18.4 ptmt -87.63 -30.56 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.479 -0.328 . . . . 64.22 110.919 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.18 -36.28 69.21 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.101 0.408 . . . . 70.52 112.101 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 31.2 m -60.08 -37.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.951 0.405 . . . . 74.02 110.58 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.52 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 1.9 mt-10 -79.0 -35.28 43.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 74.24 110.174 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 8.0 t70 -53.33 -52.75 58.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 72.22 109.634 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.86 -44.97 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.335 -0.848 . . . . 60.14 112.075 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.52 -20.74 60.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.523 -0.471 . . . . 72.0 112.022 -173.232 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 m -73.75 -44.3 56.61 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.961 -0.295 . . . . 55.23 111.102 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -84.16 -6.74 59.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.395 0.517 . . . . 74.31 112.395 -176.452 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.731 ' HB ' ' HA ' ' A' ' 78' ' ' THR . 6.4 p -88.41 -12.49 43.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.362 . . . . 74.25 110.403 174.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t70 64.84 -81.2 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.063 -0.971 . . . . 75.41 112.242 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -154.1 -34.13 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 72.04 110.229 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.66 -29.09 69.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.28 -0.418 . . . . 63.11 110.512 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.731 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 19.5 m 61.27 94.62 0.04 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 124.036 0.835 . . . . 72.34 112.556 173.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -80.1 146.56 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 72.41 108.911 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.707 ' SG ' ' HG3' ' A' ' 119' ' ' LYS . 29.5 m -91.1 151.62 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.87 0.367 . . . . 75.22 110.667 -174.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.843 ' HB2' HD12 ' A' ' 109' ' ' ILE . 2.4 mmp_? -126.23 145.94 50.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.12 -0.326 . . . . 74.42 110.12 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.664 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -128.95 144.63 51.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.406 -0.961 . . . . 64.43 108.406 172.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.62 163.06 21.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.658 0.266 . . . . 71.52 110.787 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.776 HG23 ' HE2' ' A' ' 30' ' ' PHE . 39.8 t -129.56 123.83 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 71.42 109.777 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -130.12 146.48 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.995 -0.372 . . . . 62.44 109.995 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.776 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 12.4 t70 -101.1 103.98 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.294 -0.632 . . . . 74.33 109.294 170.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 105' ' ' ILE . 66.0 m-85 -92.32 113.76 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 55.23 111.053 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -91.22 108.55 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 72.54 109.566 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.801 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 10.5 p90 -128.0 177.1 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.257 -0.428 . . . . 72.34 110.254 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 41.5 p -115.34 123.28 48.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.991 0.424 . . . . 71.04 110.077 177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 30.8 t -97.12 139.3 33.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.327 -0.397 . . . . 54.33 110.264 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 m -72.58 101.48 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 71.2 110.793 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -81.31 118.74 22.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.298 -0.63 . . . . 75.24 109.298 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 113.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 73.22 111.138 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.01 -7.11 62.43 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.851 -0.613 . . . . 74.42 112.04 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.78 -161.18 1.11 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.827 0.346 . . . . 71.32 110.438 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.78 -164.02 30.21 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.847 -0.692 . . . . 74.23 112.678 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.8 p -75.34 118.11 17.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.21 0.529 . . . . 52.42 111.065 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' THR . 20.0 m -85.99 123.77 31.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 55.05 110.199 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.58 ' HD3' HG22 ' A' ' 90' ' ' THR . 1.7 mppt? -72.93 110.19 7.05 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.167 0.508 . . . . 65.15 110.131 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.3 mtt -117.63 107.44 14.23 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.412 -0.813 . . . . 71.34 110.786 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -95.54 128.33 42.31 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.455 -0.793 . . . . 72.42 108.878 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 1.027 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -157.66 110.69 2.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.404 -0.518 . . . . 74.15 111.429 -176.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 18.8 tt -71.47 125.22 29.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 63.52 110.143 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 158' ' ' LEU . 20.7 pt -130.8 157.58 43.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.183 0.516 . . . . 71.23 111.931 -175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 138' ' ' ILE . 13.7 m-85 -95.97 128.87 43.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.068 -0.969 . . . . 73.5 111.369 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD21 HG13 ' A' ' 109' ' ' ILE . 6.5 tt -103.61 114.76 29.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.307 -0.861 . . . . 54.24 110.653 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' NE2' ' HD2' ' A' ' 82' ' ' TYR . 4.7 tp-100 -110.55 108.08 17.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.549 . . . . 73.13 110.253 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.843 HD12 ' HB2' ' A' ' 81' ' ' ARG . 53.5 mt -87.38 105.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 64.43 109.669 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 22.3 t -125.49 90.04 51.4 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.937 -0.574 . . . . 73.14 109.919 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 110' ' ' CYS . 28.4 Cg_endo -65.42 175.29 4.3 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.06 2.507 . . . . 71.34 112.488 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.63 -55.84 2.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.639 -0.504 . . . . 62.25 109.639 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.08 61.07 4.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.306 -0.718 . . . . 74.32 111.306 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.81 178.85 6.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.543 -0.328 . . . . 75.55 110.354 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 26.4 m -68.82 88.61 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.019 -0.537 . . . . 74.24 110.363 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 84.8 mt -58.04 -32.35 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 71.12 112.333 -174.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.38 -50.47 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.629 0.233 . . . . 64.12 111.629 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HE2' ' HE2' ' A' ' 122' ' ' TYR . 18.9 ptmt -86.02 -21.35 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.214 -0.595 . . . . 60.24 110.275 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HG3' ' SG ' ' A' ' 80' ' ' CYS . 19.4 ttpp -63.85 -36.25 83.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.448 -0.575 . . . . 65.52 109.448 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -64.22 -37.27 86.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.2 -0.909 . . . . 72.31 109.688 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.74 -48.23 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 73.32 110.131 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.537 ' HE2' ' HE2' ' A' ' 118' ' ' LYS . 65.9 m-85 -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.243 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.07 80.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 70.44 110.83 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -75.14 -33.36 61.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.905 -0.589 . . . . 75.42 110.241 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.4 m -68.14 -27.83 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 60.41 110.976 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -57.99 -34.45 70.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.264 -0.426 . . . . 51.41 110.748 177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.45 -43.64 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 74.34 110.611 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.46 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.329 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.058 -0.519 . . . . 63.1 111.005 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 126' ' ' ALA . 7.0 ptmt -73.35 -26.82 61.18 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.67 -0.412 . . . . 75.22 110.766 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 46.2 m -74.3 -30.79 62.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.064 0.459 . . . . 72.33 110.08 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.3 t -68.6 -47.54 66.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 73.22 111.098 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 11' ' ' VAL . 48.0 mt -91.8 -28.3 17.44 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.68 -0.408 . . . . 61.31 111.171 -176.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 -80.6 0.16 Allowed Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.936 -0.575 . . . . 64.41 112.944 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.476 HG21 HG23 ' A' ' 138' ' ' ILE . 9.0 m 58.67 -77.81 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.886 0.875 . . . . 72.44 112.305 -174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.54 -30.89 8.1 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.262 -0.494 . . . . 62.53 112.259 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.44 ' H ' HG22 ' A' ' 135' ' ' THR . 15.9 tppt? -102.39 70.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.234 -0.654 . . . . 74.23 109.234 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.635 HG21 ' CE1' ' A' ' 106' ' ' PHE . 7.6 pt -143.06 157.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.569 -0.741 . . . . 74.2 111.36 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.542 ' H ' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -118.73 98.41 6.21 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.15 -1.055 . . . . 74.22 108.15 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -90.43 105.95 18.16 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.36 -0.607 . . . . 70.34 109.36 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.49 ' HD1' HG13 ' A' ' 143' ' ' VAL . 51.8 p90 -104.13 148.34 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 74.44 111.125 -176.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -110.58 117.78 34.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 73.1 110.047 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' A' ' 141' ' ' PHE . 29.9 m -111.71 134.77 53.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.37 -0.377 . . . . 72.42 110.429 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.5 m -108.96 -3.26 17.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.89 0.376 . . . . 72.03 110.963 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -150.53 157.46 43.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.419 . . . . 71.12 110.532 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 6.4 pt-20 -64.28 -26.47 68.51 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 123.264 0.353 . . . . 52.42 111.179 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.2 t -67.51 -23.77 65.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.317 . . . . 70.15 110.553 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.625 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 42.8 mt-10 -83.96 -8.0 59.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 73.14 111.348 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.32 21.61 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.692 0.758 . . . . 74.33 109.815 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -81.62 170.73 15.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.014 -0.994 . . . . 54.02 110.964 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.476 ' NE2' ' HA ' ' A' ' 61' ' ' ALA . 62.4 m80 -41.97 -55.77 3.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.47 0.708 . . . . 74.34 112.283 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.63 -54.53 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 74.25 112.399 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.625 ' HG3' ' HA ' ' A' ' 148' ' ' GLU . 82.0 mm-40 -57.08 -43.48 82.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.047 0.758 . . . . 74.45 113.047 -168.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.52 -42.64 99.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.723 -0.391 . . . . 65.12 110.481 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.23 -36.29 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 74.1 110.013 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.2 -52.54 61.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 65.23 110.415 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -60.7 -52.31 65.66 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.613 0.721 . . . . 70.33 110.909 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.2 tp -71.24 -10.26 59.46 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.661 -1.154 . . . . 64.31 111.389 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.27 -48.2 2.88 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.636 -0.793 . . . . 71.23 112.867 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.67 -15.68 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.543 0.942 . . . . 51.25 113.543 -171.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.867 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -65.41 -30.33 71.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.953 0.406 . . . . 43.22 110.952 -177.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.867 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.565 174.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.313 0.578 . . . . 75.01 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -83.83 9.05 12.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.725 -0.671 . . . . 41.43 109.535 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 174.24 38.15 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.546 -0.752 . . . . 70.41 111.43 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.755 HG11 ' HB3' ' A' ' 125' ' ' SER . 98.0 t -119.34 150.21 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.981 -0.748 . . . . 52.55 108.981 174.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.646 ' HB2' ' HB2' ' A' ' 36' ' ' LYS . 47.2 mtt -98.13 156.2 16.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.242 -0.651 . . . . 71.21 109.242 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 37' ' ' VAL . 6.3 p -138.61 123.84 22.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.846 0.355 . . . . 72.34 111.118 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 128.47 93.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.514 -0.55 . . . . 71.24 109.514 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.89 -15.99 29.76 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.11 2.54 . . . . 70.02 113.628 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.88 -21.41 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.949 0.404 . . . . 74.21 110.741 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 129' ' ' ILE . 99.7 t -60.19 -44.74 96.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.813 -0.44 . . . . 74.31 109.813 174.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.0 mt-30 -67.2 -37.32 83.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 72.5 110.309 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -59.79 -35.4 74.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.243 0.544 . . . . 73.34 110.127 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.683 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . 49.5 m -69.69 -30.45 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.661 -0.699 . . . . 54.14 110.624 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HE1' HG11 ' A' ' 84' ' ' VAL . 45.5 m-85 -73.99 -36.01 64.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.086 0.469 . . . . 72.42 110.293 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 15.5 mm100 -67.68 -41.65 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 62.42 111.428 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.683 ' CD ' ' HA ' ' A' ' 14' ' ' SER . 16.0 ptmt -67.48 -23.59 65.5 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.876 0.369 . . . . 71.41 111.271 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 5.8 tt -78.58 -39.81 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.364 -0.606 . . . . 55.34 109.364 173.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -65.23 -31.14 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.396 -0.82 . . . . 71.44 111.209 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 54.8 mt-10 -57.58 -41.74 81.74 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.36 0.6 . . . . 62.15 110.104 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.18 -115.96 0.47 Allowed Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.215 -0.902 . . . . 74.44 112.961 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.0 mmt180 -113.43 -4.52 13.59 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.183 0.438 . . . . 75.44 112.183 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 10.0 mtmp? 75.15 -55.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.936 0.772 . . . . 71.22 109.746 -164.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 4.0 mp0 -71.18 2.18 4.97 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.357 0.599 . . . . 72.12 110.483 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.6 t80 -98.69 124.74 43.71 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.605 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 47.8 mtt180 71.27 160.71 0.22 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.921 0.763 . . . . 65.33 111.979 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -138.49 144.91 40.23 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.297 -0.865 . . . . 72.01 109.176 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.696 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.7 tp -110.14 123.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.437 0.637 . . . . 71.04 111.195 -172.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 mm -115.26 132.95 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.086 -0.961 . . . . 73.02 108.949 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.516 ' HA ' ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -139.83 152.19 46.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.226 0.536 . . . . 75.51 111.706 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.867 ' HE3' ' HB3' ' A' ' 81' ' ' ARG . 1.9 tptm -122.62 164.68 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.266 -0.879 . . . . 75.54 110.439 -171.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG11 ' A' ' 121' ' ' VAL . 28.4 mm -94.9 121.86 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.968 0.413 . . . . 64.55 110.501 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 30.4 t70 -112.47 116.81 30.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.893 -0.594 . . . . 61.22 109.407 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 64.11 -82.61 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.672 0.608 . . . . 71.24 110.614 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.41 20.19 0.84 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.75 0.309 . . . . 74.41 110.572 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.707 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -137.33 159.58 41.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.06 0.457 . . . . 70.41 111.07 177.496 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HB ' HG23 ' A' ' 7' ' ' VAL . 30.0 t -87.37 129.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 72.21 111.134 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.707 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.5 pt -127.19 149.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 62.11 110.0 175.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 6.2 p -67.11 131.8 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.723 0.297 . . . . 61.24 110.409 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' H ' ' HA ' ' A' ' 30' ' ' PHE . 31.2 tt0 -99.48 -47.42 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.134 -0.321 . . . . 75.44 110.134 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.53 142.15 22.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.758 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.64 80.52 1.81 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.18 0.514 . . . . 73.43 109.921 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -129.51 161.5 38.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 44.2 110.55 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 6.4 t -105.03 158.19 16.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.893 0.377 . . . . 72.12 110.515 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.402 ' HB2' HG13 ' A' ' 50' ' ' ILE . 8.1 pt20 -79.29 -24.2 43.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.316 -0.402 . . . . 72.21 110.488 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.79 -17.53 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.601 -0.272 . . . . 72.31 111.262 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 44' ' ' THR . 11.1 pt20 -86.93 -33.4 19.7 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.979 -0.288 . . . . 72.11 111.218 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 HG12 ' A' ' 50' ' ' ILE . 4.4 pp -81.15 -29.2 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.877 -0.329 . . . . 74.12 111.095 -174.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.57 45.81 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.216 -0.992 . . . . 71.32 113.03 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' ' 59' ' ' SER . 48.4 mm -116.56 153.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.189 -0.671 . . . . 74.02 109.189 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -66.29 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.915 0.709 . . . . 62.01 112.915 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.71 -86.31 0.08 OUTLIER Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.48 -0.867 . . . . 63.53 112.006 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 19.3 m-20 -73.52 121.9 21.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.705 -0.85 . . . . 64.12 108.705 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 59' ' ' SER . 18.0 t70 -48.83 -65.32 0.59 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.342 0.867 . . . . 64.5 113.342 -166.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.043 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 36.7 t80 -96.07 -28.82 14.43 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.472 -0.767 . . . . 73.41 111.168 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.68 -37.03 76.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.658 -0.247 . . . . 65.01 111.376 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 57.5 m-20 -85.06 17.93 2.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.544 0.211 . . . . 74.34 110.637 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.2 p 52.78 36.39 21.19 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.679 0.792 . . . . 71.31 111.117 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 3.9 m -90.91 12.22 20.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 62.24 110.254 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.28 10.43 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.853 -0.612 . . . . 53.32 111.395 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.61 -26.93 5.94 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.187 -0.461 . . . . 71.5 111.176 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -59.45 -52.68 64.57 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.52 -0.309 . . . . 65.22 110.3 175.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.434 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 36.0 m-85 -69.74 -28.27 65.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 71.25 110.408 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.2 t70 -68.17 -35.81 78.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.576 -0.738 . . . . 52.53 110.582 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 20.5 ptmt -86.73 -20.76 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.552 -0.294 . . . . 52.04 111.098 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -63.71 -28.91 70.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.559 0.219 . . . . 74.33 111.093 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.966 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 8.8 m -63.22 -27.46 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 70.31 110.258 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 17.4 mt-10 -81.51 -38.11 26.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.781 -0.451 . . . . 54.32 109.781 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.24 -43.44 64.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.033 -0.53 . . . . 62.21 110.231 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 149' ' ' MET . 96.3 t -65.73 -61.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.399 -0.819 . . . . 65.2 111.234 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 57.0 pttt -66.05 -20.82 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.524 0.565 . . . . 73.31 112.524 -172.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.9 t -65.45 -56.89 9.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.159 -0.216 . . . . 41.0 111.067 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -86.01 -17.47 35.17 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.457 0.539 . . . . 75.24 112.457 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.849 HG22 ' HB3' ' A' ' 79' ' ' ASP . 12.1 p -70.62 -25.27 62.95 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 74.53 111.914 -176.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 74' ' ' THR . 15.5 t70 68.88 -64.96 0.3 Allowed 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.775 0.672 . . . . 73.24 110.281 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -145.47 61.74 1.28 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.347 -0.612 . . . . 73.55 109.347 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt 53.08 33.94 16.1 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.528 -0.76 . . . . 74.1 111.953 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -82.63 -31.05 28.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.85 0.357 . . . . 64.41 110.837 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' HG22 ' A' ' 74' ' ' THR . 7.6 t70 -77.85 141.8 38.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.479 . . . . 61.34 110.305 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.75 136.19 19.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.784 -0.821 . . . . 65.33 108.784 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.867 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 4.7 ptt180 -156.32 177.13 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.186 0.517 . . . . 73.15 112.119 -171.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -110.42 128.49 55.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.062 -0.972 . . . . 71.24 110.157 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' CE1' ' A' ' 85' ' ' PHE . . . -128.7 129.84 46.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.992 -0.549 . . . . 73.42 109.628 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.71 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.1 t -122.7 122.11 65.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 120.873 0.368 . . . . 74.41 110.183 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 48.0 m-85 -128.62 134.37 48.55 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.653 -0.703 . . . . 73.23 109.388 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.4 t70 -94.23 98.3 10.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.683 -1.599 . . . . 74.33 106.683 164.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.702 ' CE1' ' HG ' ' A' ' 158' ' ' LEU . 4.6 p90 -98.81 128.01 44.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.444 0.64 . . . . 71.51 110.333 -171.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 33.4 ttmt -98.73 108.41 21.1 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.676 -0.693 . . . . 52.14 109.926 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 1.043 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.4 p90 -110.86 -175.41 2.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.27 -0.877 . . . . 65.44 109.506 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.5 p -112.74 121.86 45.96 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.2 0.524 . . . . 71.33 109.727 173.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.9 t -96.33 134.19 39.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.814 -0.63 . . . . 71.01 109.605 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 m -65.88 114.6 5.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.221 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.602 ' CG ' ' HB3' ' A' ' 96' ' ' ALA . 28.6 tpt180 -91.35 109.25 20.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.648 -0.706 . . . . 73.14 109.316 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.12 112.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 74.22 111.088 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 7.61 62.47 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.797 -0.638 . . . . 45.24 112.457 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . . . -148.86 -159.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.564 0.221 . . . . 71.31 110.714 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.68 175.52 22.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.88 -0.676 . . . . 74.13 112.615 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 p -53.1 129.57 31.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 70.42 111.838 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -115.37 123.43 48.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.211 -0.449 . . . . 63.3 110.247 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -71.82 129.65 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 72.4 110.4 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.6 tpp -141.1 138.97 33.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.622 -0.717 . . . . 70.23 110.529 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.7 p30 -109.81 149.9 29.15 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.64 -0.709 . . . . 72.44 109.822 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 1.043 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.81 134.91 3.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.509 . . . . 74.15 111.148 172.396 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 11.4 tt -75.98 124.2 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 63.13 110.88 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.517 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.7 pt -117.26 137.91 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.231 0.539 . . . . 73.51 111.421 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.521 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 33.4 m-85 -94.12 103.49 15.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.505 -0.771 . . . . 75.43 110.533 174.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 4.4 tt -90.9 101.86 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.638 -0.71 . . . . 63.03 109.272 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 142' ' ' GLN . 14.0 tp60 -89.02 102.8 15.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.953 -0.567 . . . . 75.04 110.072 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.755 HD12 ' HG3' ' A' ' 81' ' ' ARG . 59.8 mt -76.83 95.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.612 -0.885 . . . . 75.21 108.612 172.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.74 98.16 13.55 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.077 -0.51 . . . . 60.52 110.211 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.845 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 19.7 Cg_exo -66.21 116.32 3.96 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.451 2.1 . . . . 74.25 110.154 171.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.595 ' HA ' ' NZ ' ' A' ' 119' ' ' LYS . 22.7 t70 -64.73 -41.96 95.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.475 -0.33 . . . . 71.41 111.109 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.02 44.39 2.98 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.871 -0.68 . . . . 71.33 112.202 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.845 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -110.93 177.44 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.59 0.233 . . . . 62.13 111.125 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 40.4 m -46.99 105.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.209 0.943 . . . . 71.54 111.789 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.73 -38.59 72.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.651 0.611 . . . . 73.43 112.651 -170.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.795 0.331 . . . . 71.24 111.426 -174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -84.76 -23.02 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.894 -0.322 . . . . 73.51 111.144 -178.694 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 112' ' ' ASP . 1.5 tmtp? -71.68 -32.29 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.533 -0.543 . . . . 72.24 109.533 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.0 ttt -63.63 -36.85 85.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 55.32 110.182 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 32' ' ' ILE . 44.5 t -63.9 -48.7 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 72.23 110.159 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -63.26 -32.32 73.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.265 -0.425 . . . . 75.55 111.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.88 67.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.822 0.344 . . . . 72.05 110.67 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -83.18 -39.87 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.761 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.755 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.492 -0.322 . . . . 63.13 111.51 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.52 81.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.98 0.419 . . . . 74.31 110.422 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.51 -24.01 39.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 62.24 110.806 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.46 51.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.471 -0.331 . . . . 72.14 111.293 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.657 HD11 HG11 ' A' ' 11' ' ' VAL . 5.6 tp -63.4 -37.26 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.499 -0.319 . . . . 75.55 111.457 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.96 -35.53 69.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 74.21 110.493 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.0 m -72.63 -26.99 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.681 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.7 m -65.86 -52.33 51.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.223 -0.444 . . . . 64.32 110.112 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.521 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.7 mp -72.87 -26.3 61.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.295 -0.411 . . . . 74.14 111.677 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.19 46.0 63.21 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.228 -0.511 . . . . 71.22 112.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 m -85.62 -48.85 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 72.3 111.224 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.6 -30.56 4.5 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.006 -0.616 . . . . 44.34 114.058 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 59.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.688 0.756 . . . . 74.42 111.517 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -114.21 146.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.316 -0.856 . . . . 61.12 110.368 176.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.27 99.09 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.432 -0.951 . . . . 74.23 108.432 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 106' ' ' PHE . 57.2 tt0 -108.25 123.96 49.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.313 -0.858 . . . . 63.2 109.65 -176.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.691 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 32.2 p90 -130.93 139.2 50.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.783 0.325 . . . . 73.33 111.138 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 108' ' ' GLN . 96.6 mt-30 -102.3 113.05 26.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.524 . . . . 74.25 109.691 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 148' ' ' GLU . 31.5 m -120.52 149.88 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.263 -0.426 . . . . 75.32 111.083 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 50.2 m -110.23 -53.34 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.368 -0.378 . . . . 63.25 111.447 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -85.41 158.67 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.54 111.609 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.966 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 13.9 pt-20 -60.11 -33.59 72.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 51.33 111.364 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 m -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.197 0.523 . . . . 73.41 110.653 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 143' ' ' VAL . 9.0 mm-40 -71.15 -29.29 65.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 75.44 110.853 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.486 ' HB3' HG21 ' A' ' 143' ' ' VAL . 23.2 ptp -102.35 11.97 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.018 -0.537 . . . . 73.42 110.862 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 60.3 m -75.38 152.66 38.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.804 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 63' ' ' PHE . 28.9 p80 -57.24 -29.17 63.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.873 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -56.37 -50.51 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.882 0.372 . . . . 74.33 110.874 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 64.7 mm-40 -75.31 -30.56 60.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 73.43 111.211 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 30.3 mt -57.09 -43.77 82.5 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.015 -0.274 . . . . 72.32 110.304 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.1 tt -68.89 -44.39 73.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.238 -0.437 . . . . 61.25 109.832 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.01 -51.25 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.771 -0.65 . . . . 61.33 111.716 -176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 69.1 mmtt -64.23 -43.75 93.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.371 0.605 . . . . 62.32 109.77 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.702 ' HG ' ' CE1' ' A' ' 87' ' ' PHE . 3.6 mm? -66.71 -10.82 50.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.078 -0.965 . . . . 54.32 112.036 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.81 -55.01 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.707 -0.759 . . . . 54.22 112.124 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 8.2 pt-20 -64.85 -22.13 66.93 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.64 0.607 . . . . 71.33 112.64 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -56.48 -41.35 76.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.696 0.284 . . . . 73.32 110.758 -175.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.708 ' H ' ' HD3' ' A' ' 161' ' ' LYS . 39.8 m-85 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 74.44 111.784 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.19 0.519 . . . . 71.33 111.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -99.66 -12.57 19.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.872 -0.604 . . . . 70.44 110.175 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 69.59 0.95 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.636 -0.793 . . . . 52.34 111.691 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.55 123.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.886 0.374 . . . . 75.24 110.091 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.579 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 22.8 ptm -99.45 171.29 8.04 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.459 -0.571 . . . . 74.34 109.459 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.641 HG23 ' HB ' ' A' ' 37' ' ' VAL . 7.4 p -130.05 131.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 120.974 -0.29 . . . . 71.31 110.798 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -56.24 124.9 62.91 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.612 -0.514 . . . . 72.32 109.612 171.557 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' ASP . 67.3 Cg_exo -52.77 -26.41 30.34 Favored 'Trans proline' 0 N--CA 1.472 0.235 0 C-N-CA 123.526 2.817 . . . . 71.45 114.32 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB3' HG11 ' A' ' 39' ' ' VAL . 24.7 t70 -66.3 -24.44 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.658 0.266 . . . . 73.25 111.345 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' CE2' ' A' ' 15' ' ' PHE . 59.8 t -60.27 -48.75 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.641 -0.503 . . . . 74.22 109.641 175.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 51.1 mt-30 -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 73.2 110.765 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -60.19 -40.82 91.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 74.41 110.451 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.796 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 54.0 m -64.73 -39.72 94.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.941 -0.572 . . . . 74.21 110.64 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 35.7 m-85 -58.89 -41.07 86.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.06 0.457 . . . . 73.33 110.55 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.97 -54.51 29.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.267 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.796 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 52.1 pttt -67.32 -17.84 64.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.704 0.261 . . . . 63.01 111.704 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 27' ' ' TYR . 9.5 tt -76.19 -61.26 2.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 64.23 110.06 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.6 -34.22 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 72.52 110.918 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -85.55 -5.67 59.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 72.41 110.028 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.1 -102.18 0.74 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.049 -0.82 . . . . 51.33 111.049 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . 23.6 mmt180 -112.25 -71.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.623 -0.431 . . . . 75.44 110.072 174.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 8.7 mmtp -177.49 -77.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.456 1.102 . . . . 73.24 108.92 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 4.9 mp0 -80.16 16.57 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.015 0.436 . . . . 75.35 110.465 174.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.714 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -93.7 123.17 36.85 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.337 -0.616 . . . . 71.0 109.337 -178.227 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.758 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 41.92 114.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.974 1.422 . . . . 70.52 112.505 -167.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.787 ' HA ' HD12 ' A' ' 18' ' ' LEU . 10.2 p90 -107.85 166.46 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.431 -0.804 . . . . 53.32 110.717 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.72 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -109.91 120.0 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.479 0.657 . . . . 63.21 111.626 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 38.3 mm -115.39 116.54 52.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.342 -0.844 . . . . 74.11 109.265 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.72 ' HD1' HG13 ' A' ' 28' ' ' ILE . 11.5 p90 -134.93 157.99 45.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 73.43 111.698 -174.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.014 ' HG2' HH11 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -136.97 173.48 11.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 74.44 109.991 -176.572 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 37' ' ' VAL . 35.5 mm -105.17 118.23 52.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.014 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -134.3 151.56 51.32 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.359 -0.978 . . . . 52.15 108.359 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.23 -99.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.524 -0.547 . . . . 74.53 109.524 -171.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -146.13 20.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 60.1 110.404 176.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.597 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.78 171.82 13.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 71.15 111.617 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.641 ' HB ' HG23 ' A' ' 7' ' ' VAL . 40.6 t -81.98 129.08 38.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.5 -0.773 . . . . 75.42 110.384 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.597 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 44.2 pt -118.06 139.83 43.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 74.14 110.739 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 10' ' ' ASP . 3.3 p -86.51 129.04 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 73.33 109.889 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.38 -45.54 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.925 0.393 . . . . 75.33 110.839 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.83 135.81 40.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.937 0.399 . . . . 71.31 111.406 -176.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -143.92 74.43 1.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.301 -0.863 . . . . 73.21 109.497 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 29.1 m -132.48 166.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.76 . . . . 73.41 110.247 -176.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.758 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 12.1 t -98.63 150.25 21.95 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.749 0.309 . . . . 73.13 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -71.1 -20.45 62.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.047 0.451 . . . . 50.21 110.078 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 6.4 t70 -65.85 -27.95 68.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.721 . . . . 71.52 111.518 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 44' ' ' THR . 20.0 pt20 -89.86 -12.73 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.695 0.258 . . . . 75.21 111.695 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.8 -5.96 23.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.65 -0.42 . . . . 72.11 111.553 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.82 2.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.063 -1.065 . . . . 42.3 113.508 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 14.7 mm -82.16 164.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.428 -0.582 . . . . 63.22 109.428 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.433 ' H ' HG22 ' A' ' 50' ' ' ILE . 21.3 p -80.22 -50.58 10.05 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.305 0.854 . . . . 72.54 113.305 -171.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.96 -83.93 0.11 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 119.626 -1.273 . . . . 11.24 114.067 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 5.1 m-20 -70.79 132.25 45.04 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.703 0.26 . . . . 72.23 111.703 -172.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.22 -65.91 0.54 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.932 0.715 . . . . 74.32 112.932 -170.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.718 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 57.7 t80 -109.49 -18.86 13.43 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.764 -0.585 . . . . 74.55 110.336 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 28.4 t70 -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.906 -0.588 . . . . 61.51 110.243 177.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -113.68 3.81 15.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.275 0.559 . . . . 71.23 110.05 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m 66.0 38.18 5.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.424 -0.807 . . . . 72.02 112.234 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.473 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 49.7 m -79.46 -12.08 59.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.409 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 151' ' ' HIS . 12.5 pttm -55.4 -23.45 24.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.214 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.6 -29.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.007 -0.542 . . . . 42.32 111.121 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.91 -36.72 72.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.04 -0.527 . . . . 74.25 111.663 176.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 81.2 m-85 -65.89 -22.85 66.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.822 0.344 . . . . 54.21 111.407 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.643 ' HB2' ' CD2' ' A' ' 151' ' ' HIS . 8.6 t70 -69.95 -46.78 64.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.076 -0.511 . . . . 73.04 111.289 -174.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.64 61.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 72.04 111.661 -174.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 28.6 m-85 -84.65 -28.53 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.217 0.451 . . . . 61.23 112.217 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 64' ' ' ASP . 21.4 m -61.04 -23.9 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.957 0.408 . . . . 62.0 111.397 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 77.4 mm-40 -74.78 -57.57 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.392 . . . . 74.3 110.431 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.43 -32.86 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 64.22 110.404 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 66' ' ' PHE . 53.7 t -61.39 -53.46 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.608 -0.724 . . . . 62.54 110.985 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.701 ' HD3' ' HG2' ' A' ' 146' ' ' GLU . 18.6 pttm -79.76 -21.03 44.92 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.006 -1.078 . . . . 71.32 111.583 -171.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.0 m -75.55 -30.52 59.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.623 0.249 . . . . 75.32 111.214 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -85.91 -24.54 26.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.913 -0.315 . . . . 73.21 111.066 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 79' ' ' ASP . 53.9 p -94.78 2.52 55.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.646 -0.252 . . . . 61.53 111.335 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 74' ' ' THR . 22.2 t70 70.4 -64.99 0.34 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.856 0.723 . . . . 74.22 110.325 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -141.89 -77.84 0.26 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 72.42 109.633 175.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -150.13 34.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 71.02 110.634 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -75.48 -24.92 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 54.15 111.274 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.529 ' HB3' HG22 ' A' ' 74' ' ' THR . 31.6 t70 -108.89 144.58 36.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.045 -172.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.2 p -139.03 135.76 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.645 . . . . 54.4 110.034 -177.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 1.014 HH11 ' HG2' ' A' ' 31' ' ' LYS . 26.0 mtt180 -145.47 166.7 24.9 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.71 0.29 . . . . 73.53 111.511 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.64 ' HE2' ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -117.5 128.18 54.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.095 -0.502 . . . . 63.12 109.679 -177.464 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.48 150.75 47.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.255 -0.276 . . . . 64.05 110.255 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -134.62 130.73 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.931 0.396 . . . . 64.51 111.122 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -137.79 138.45 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.744 -0.662 . . . . 73.42 109.684 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.655 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.5 t70 -100.56 99.4 9.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.96 -1.126 . . . . 43.32 107.96 169.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -102.56 143.31 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.907 -0.405 . . . . 71.34 109.907 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 9.1 ptpp? -112.88 148.22 35.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.229 0.538 . . . . 63.3 109.967 175.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.5 p90 -143.81 172.95 12.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.421 -0.809 . . . . 63.01 109.91 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 99' ' ' SER . 19.6 p -134.16 122.72 23.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.085 -0.507 . . . . 75.04 110.831 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.1 m -99.08 131.26 45.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.17 -0.468 . . . . 64.35 110.007 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -74.96 109.17 8.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.312 0.577 . . . . 52.52 109.77 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 79.9 ttt180 -73.26 142.15 47.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.462 -0.79 . . . . 71.14 110.136 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.51 113.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 71.33 110.746 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.72 10.45 85.14 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.68 -0.691 . . . . 33.0 112.368 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -138.53 -166.51 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 55.15 111.041 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.6 -144.31 13.59 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.719 -0.753 . . . . 51.24 112.322 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -80.38 140.71 35.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.401 0.62 . . . . 52.32 112.068 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.1 m -118.55 114.95 23.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.495 -0.775 . . . . 65.2 109.16 171.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -82.26 126.4 32.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.021 0.438 . . . . 73.3 110.529 -178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -134.09 140.05 46.36 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.842 -0.799 . . . . 70.43 108.842 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 1.5 p30 -130.63 144.59 51.53 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.121 -0.325 . . . . 74.11 110.121 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 103' ' ' LYS . 8.9 tppt? -160.26 133.6 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.071 0.462 . . . . 65.23 111.161 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.655 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 tt -72.21 120.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.444 -0.798 . . . . 63.44 110.576 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 141' ' ' PHE . 32.9 pt -108.34 141.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.016 0.436 . . . . 74.33 110.619 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 138' ' ' ILE . 29.4 m-85 -95.73 107.08 19.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.936 -0.575 . . . . 61.52 110.181 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 141' ' ' PHE . 27.7 tp -95.32 102.49 14.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.587 -0.733 . . . . 55.2 110.269 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.467 ' OE1' ' HB2' ' A' ' 126' ' ' ALA . 29.1 tt0 -111.61 105.53 14.1 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.613 -0.514 . . . . 41.32 109.613 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.2 mt -89.48 103.57 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.84 -0.8 . . . . 74.42 108.84 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 76.7 m -146.04 99.14 4.32 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 65.1 111.536 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.847 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 32.2 Cg_exo -63.13 147.96 93.7 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.907 2.405 . . . . 71.15 111.217 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 38.7 t70 -87.01 -32.76 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.424 -0.584 . . . . 73.21 109.424 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.75 34.14 2.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.154 -0.778 . . . . 62.45 111.154 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.847 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.567 . . . . 73.45 110.31 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -57.29 102.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 54.2 110.707 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 75.6 mt -54.18 -39.56 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.235 0.828 . . . . 72.23 113.235 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -62.59 -54.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.745 -0.382 . . . . 75.15 111.355 -175.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 118' ' ' LYS . 19.7 ptmt -75.06 -28.47 60.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 70.14 110.294 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 34.2 ttpt -59.95 -43.67 94.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.238 0.542 . . . . 74.52 110.028 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.37 -32.03 73.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.733 . . . . 64.15 111.339 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 117' ' ' LYS . 26.1 t -73.35 -41.95 57.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.589 -0.278 . . . . 71.11 110.82 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 81' ' ' ARG . 30.7 m-85 -63.26 -35.69 81.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 70.43 111.094 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -28.02 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 50.23 110.835 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.1 m -84.56 -32.88 23.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 72.54 110.832 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 p -68.05 -20.59 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.674 0.274 . . . . 54.01 111.205 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -56.74 -43.89 81.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.0 0.429 . . . . 65.14 110.467 173.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.23 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 71.42 110.731 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.72 -47.52 75.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 73.33 110.999 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.84 -31.06 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.171 0.51 . . . . 72.52 110.245 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -71.63 -35.52 70.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 72.25 110.472 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.5 m -79.0 -36.37 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.317 -0.401 . . . . 73.34 111.246 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 p -70.82 -29.47 65.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.396 -0.365 . . . . 64.12 111.754 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 15' ' ' PHE . 9.3 mp -100.95 -25.68 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 62.12 111.018 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.6 -67.95 3.56 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.366 -0.694 . . . . 51.44 111.366 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.8 p 50.7 -97.04 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.94 0.896 . . . . 51.0 112.83 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.12 88.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.104 -0.57 . . . . 73.11 112.692 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.933 ' HE2' ' HA ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -143.6 38.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 70.11 109.759 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 106' ' ' PHE . 1.6 pp -102.45 162.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.81 -0.632 . . . . 74.22 111.703 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.87 99.19 7.11 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.626 -0.879 . . . . 61.52 108.626 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.86 128.11 39.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.612 -0.722 . . . . 75.22 109.282 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.529 ' CE2' HD13 ' A' ' 107' ' ' LEU . 13.6 p90 -124.35 118.88 27.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.314 0.578 . . . . 71.12 110.104 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 77.1 mt-30 -94.3 114.11 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.45 -0.795 . . . . 65.33 110.027 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.9 170.09 8.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.933 -0.576 . . . . 61.41 110.302 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 p -141.52 -27.01 0.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.899 0.38 . . . . 64.31 111.321 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.579 ' HB3' ' HG3' ' A' ' 148' ' ' GLU . 19.7 t70 -98.7 146.0 26.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.28 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.701 ' HG2' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.32 -17.23 64.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.646 0.61 . . . . 74.45 112.646 -176.019 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 71.1 m -81.55 -16.98 50.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 51.25 110.449 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 145' ' ' ASP . 43.1 mt-10 -81.4 -29.07 34.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.421 . . . . 74.22 110.344 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 146' ' ' GLU . 26.4 ptm -93.66 8.53 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 62.11 110.958 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.2 m -68.88 152.03 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.256 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 64' ' ' ASP . 7.0 p80 -64.81 -25.61 67.98 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.877 0.325 . . . . 70.41 111.877 -173.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -58.93 -42.46 89.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.08 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 60.4 mm-40 -80.96 -24.08 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.746 0.647 . . . . 70.04 112.746 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.65 -42.25 87.93 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.467 -0.493 . . . . 53.24 110.081 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 155' ' ' LEU . 7.1 tt -69.6 -39.08 77.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.9 -0.591 . . . . 72.54 109.582 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -62.51 -45.89 90.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.29 -0.414 . . . . 61.41 111.217 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 60.0 mmtt -66.43 -39.86 89.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.989 0.423 . . . . 73.12 111.434 -175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.0 tp -82.43 -31.73 29.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.28 0.562 . . . . 72.21 110.47 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -76.55 -28.49 59.42 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.366 -0.834 . . . . 23.3 113.764 -174.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 161' ' ' LYS . 6.8 pt-20 -60.64 -45.27 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.644 0.722 . . . . 53.2 111.274 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -85.96 -69.83 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.741 -0.384 . . . . 73.44 112.025 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 112.515 0.561 . . . . 73.53 112.515 -170.319 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HG3' ' SD ' ' A' ' 120' ' ' MET . 17.2 tmm? . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.665 0.269 . . . . 74.14 110.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -76.04 34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.119 0.485 . . . . 71.33 110.652 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 1' ' ' MET . 3.2 m -76.72 -24.02 53.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.897 -0.592 . . . . 73.13 110.789 -175.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 71.93 1.3 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.488 -0.863 . . . . 73.23 111.993 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG11 ' OG ' ' A' ' 125' ' ' SER . 45.8 t -66.98 130.59 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.961 0.41 . . . . 65.42 111.119 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 ptp -120.01 170.29 9.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.795 -0.638 . . . . 51.55 109.516 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.21 139.14 36.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.869 -0.332 . . . . 74.11 111.24 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.612 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.18 128.63 93.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.205 -0.665 . . . . 45.31 109.205 170.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -45.21 -36.56 12.44 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.675 2.917 . . . . 43.55 114.499 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.79 -16.9 64.23 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.448 0.536 . . . . 65.5 112.448 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 129' ' ' ILE . 79.1 t -58.5 -53.26 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 72.22 110.119 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 43.5 mt-30 -64.38 -37.1 86.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.563 . . . . 73.4 110.862 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 m -59.1 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 72.14 110.805 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 m -67.53 -28.06 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 72.41 110.874 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.664 ' HE1' HG11 ' A' ' 84' ' ' VAL . 20.1 m-85 -77.05 -28.48 54.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 70.51 111.444 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 17.6 mm-40 -64.52 -54.37 33.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 74.52 110.917 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -14.79 61.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.143 -0.481 . . . . 65.13 112.043 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 26' ' ' ARG . 52.9 tp -87.93 -57.31 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.702 -0.481 . . . . 72.52 109.702 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.8 m -59.14 -53.57 56.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 70.4 111.884 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -103.72 12.83 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.905 0.383 . . . . 65.34 111.381 -174.395 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.63 -96.26 0.97 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.286 -0.959 . . . . 42.32 112.984 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.7 mmt180 -70.59 -20.73 62.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 74.41 112.601 -174.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 19.9 mtpp 70.82 -86.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.69 0.619 . . . . 72.11 111.993 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -108.72 17.87 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 73.52 110.882 -172.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -130.71 137.57 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.615 -0.434 . . . . 73.23 111.393 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.831 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 29.7 mtt180 66.26 115.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.039 -0.982 . . . . 71.1 110.52 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -111.99 178.67 4.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 72.3 111.955 -167.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.539 HG13 ' CD1' ' A' ' 30' ' ' PHE . 5.4 tp -119.58 126.08 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 71.22 110.94 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -115.45 108.37 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 73.22 109.324 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CD1' HG13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -134.87 130.57 36.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 64.34 111.598 -175.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HD3' ' A' ' 81' ' ' ARG . 1.2 mptm? -118.13 -179.55 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 71.04 110.184 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.02 127.86 50.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.327 -0.397 . . . . 61.44 110.12 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 38' ' ' ILE . 28.6 t70 -125.62 122.28 35.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.352 -0.61 . . . . 72.21 109.352 174.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 63.94 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 72.42 111.643 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -152.98 14.55 0.53 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.184 0.439 . . . . 41.54 112.184 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -143.95 160.04 41.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.084 -0.646 . . . . 60.13 111.045 176.24 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.612 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 22.8 t -77.5 130.4 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.619 -0.719 . . . . 75.41 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.546 HG22 ' HE3' ' A' ' 36' ' ' LYS . 43.9 pt -119.44 141.72 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 64.25 111.293 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -85.73 108.64 17.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.296 -0.411 . . . . 71.43 110.03 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' HD3' ' A' ' 31' ' ' LYS . 92.5 mt-10 -80.84 -42.51 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.48 -0.327 . . . . 74.13 110.37 178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 140.07 19.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.125 0.488 . . . . 73.34 112.019 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.32 75.22 0.93 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.477 -0.934 . . . . 72.21 108.477 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.06 144.01 31.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.266 -0.879 . . . . 74.32 111.636 -167.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.831 ' HB ' ' HG2' ' A' ' 26' ' ' ARG . 10.2 t -100.96 163.91 12.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.301 -0.629 . . . . 71.2 109.301 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 12.5 pt20 -83.97 -19.59 34.34 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.507 -0.477 . . . . 72.34 110.068 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.5 p30 -77.18 -15.66 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 75.43 111.236 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -91.34 -13.35 32.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.88 -0.328 . . . . 62.45 111.088 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -99.1 -15.17 19.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.724 -0.39 . . . . 71.13 111.478 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.2 -20.65 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.984 -1.103 . . . . 74.44 113.266 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 51' ' ' THR . 7.2 mm -86.74 178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.188 -0.671 . . . . 72.31 109.188 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.704 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -97.89 -34.73 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.463 0.542 . . . . 74.42 112.463 -176.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.58 -78.41 0.3 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 119.675 -1.25 . . . . 32.15 114.61 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 9.7 m-20 -64.06 126.86 29.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.869 0.322 . . . . 74.42 111.869 -170.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 14.1 t70 -53.58 -64.97 0.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.89 -0.595 . . . . 73.41 112.155 -176.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -100.91 -39.4 7.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.308 -0.557 . . . . 72.42 110.47 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 24.4 t70 -54.75 -42.24 71.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 73.44 110.831 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 58' ' ' SER . 5.0 t70 -96.69 -26.18 15.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.714 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 21.8 t 83.7 35.51 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.234 0.959 . . . . 54.33 110.315 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.444 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 75.0 m -81.46 1.31 33.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.787 -0.642 . . . . 74.31 111.252 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.609 ' HD2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.33 -24.8 57.41 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.292 0.237 . . . . 72.12 111.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.27 -31.11 42.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.395 -0.366 . . . . 55.41 111.038 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.16 79.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.386 . . . . 41.14 110.114 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 98.3 m-85 -65.38 -26.16 67.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.805 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -69.46 -38.03 77.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.854 -0.612 . . . . 73.22 110.823 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -86.92 -23.9 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.319 . . . . 73.04 111.333 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 m-30 -61.56 -34.68 75.99 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.842 0.312 . . . . 73.41 111.842 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 34.6 m -63.37 -32.49 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 73.54 111.021 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -69.97 -41.92 73.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.392 0.615 . . . . 64.34 110.131 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 17.0 t70 -60.25 -36.53 77.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.261 -0.882 . . . . 73.32 109.381 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.0 t -58.15 -46.28 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 115.487 -0.779 . . . . 53.13 111.212 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -80.21 -21.0 43.36 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 118.891 -1.124 . . . . 72.53 110.836 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -75.45 -48.31 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.329 -0.396 . . . . 74.22 110.96 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 52.3 ptt85 -78.96 -31.65 45.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.782 0.29 . . . . 74.52 111.782 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.773 HG21 ' HB2' ' A' ' 79' ' ' ASP . 2.8 m -101.15 15.33 29.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.794 0.33 . . . . 75.2 111.812 -174.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.14 -77.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.873 0.694 . . . . 74.24 112.873 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -103.91 -82.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.732 0.301 . . . . 61.55 110.266 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -161.89 23.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 72.33 108.768 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.73 29.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.899 -1.046 . . . . 72.11 111.899 -171.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.773 ' HB2' HG21 ' A' ' 74' ' ' THR . 17.2 t70 -98.4 139.78 33.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.51 -0.552 . . . . 75.22 109.51 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HA ' HG23 ' A' ' 109' ' ' ILE . 30.8 m -147.76 134.46 19.96 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.179 -1.045 . . . . 72.54 108.179 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.557 ' HD3' ' HE2' ' A' ' 31' ' ' LYS . 4.2 ptp180 -163.96 175.67 10.12 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.973 -0.38 . . . . 74.54 109.973 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.1 m-85 -112.94 128.17 56.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.779 -0.646 . . . . 74.11 109.334 166.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -131.75 130.22 41.63 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.925 -0.58 . . . . 71.45 109.698 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.664 HG11 ' HE1' ' A' ' 15' ' ' PHE . 68.6 t -124.86 122.37 63.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.274 0.559 . . . . 71.33 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CE2' ' HB1' ' A' ' 83' ' ' ALA . 53.4 m-85 -129.66 131.02 46.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.349 -0.841 . . . . 72.52 109.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.7 t70 -90.95 97.79 11.39 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.305 -1.739 . . . . 63.43 106.305 165.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -101.93 135.07 44.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.423 0.63 . . . . 71.42 110.491 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 31.2 ttmt -94.69 109.95 21.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.349 -0.841 . . . . 72.24 110.694 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' CE1' HD23 ' A' ' 158' ' ' LEU . 11.3 p90 -121.48 -171.64 2.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.16 -0.927 . . . . 61.34 109.658 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.556 ' HB ' HG23 ' A' ' 98' ' ' THR . 27.7 p -123.57 124.54 43.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.661 0.267 . . . . 74.21 110.72 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.1 t -96.86 140.18 31.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.967 -0.56 . . . . 51.11 109.708 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -82.02 101.6 10.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.99 -0.55 . . . . 41.14 110.334 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -72.26 120.45 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.579 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.82 116.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 75.03 109.958 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.31 -12.04 47.84 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.372 -0.691 . . . . 70.01 111.372 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.12 -160.64 1.09 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.081 -0.34 . . . . 73.03 110.081 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.55 -135.76 6.78 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.617 -0.801 . . . . 64.45 112.595 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.556 HG23 ' HB ' ' A' ' 90' ' ' THR . 52.5 m -70.77 134.85 47.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.827 0.346 . . . . 64.12 111.302 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -139.06 121.13 15.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 55.4 110.139 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 4.9 tmmm? -68.91 130.5 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.084 -176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.1 136.55 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 51.24 110.092 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.34 129.45 53.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.398 -0.364 . . . . 64.15 110.343 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.878 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -164.76 164.3 21.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.611 0.719 . . . . 41.41 112.918 177.119 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 6.7 tt -95.04 140.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.326 -1.307 . . . . 73.1 111.864 -168.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.9 pt -130.01 144.19 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 72.44 111.125 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.686 ' HE1' HG21 ' A' ' 138' ' ' ILE . 31.0 m-85 -93.11 112.5 24.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 52.45 110.462 172.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 7.1 tt -94.89 103.0 14.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.722 -0.473 . . . . 71.12 109.722 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.686 HE22 ' HB3' ' A' ' 122' ' ' TYR . 5.4 tp60 -103.21 115.01 29.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.75 -0.659 . . . . 71.41 109.306 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.479 HG12 ' HD3' ' A' ' 111' ' ' PRO . 8.9 tt -104.44 108.9 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.369 0.604 . . . . 53.44 110.059 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.8 t -122.86 85.6 50.15 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.419 -0.809 . . . . 74.03 110.791 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.798 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 31.5 Cg_exo -62.15 122.53 11.03 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.901 2.401 . . . . 63.54 111.059 174.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.82 -43.05 99.62 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.39 -0.524 . . . . 74.14 109.798 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.93 50.41 4.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.957 -0.64 . . . . 73.32 112.302 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -125.47 176.81 6.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.648 0.261 . . . . 44.35 110.841 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 m -62.88 101.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.804 -0.635 . . . . 62.33 110.88 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.38 -44.48 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -49.98 -64.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.833 0.349 . . . . 60.03 111.609 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.34 -24.11 59.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.168 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.602 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 35.9 ttpt -74.14 -39.76 63.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.964 0.411 . . . . 74.55 110.625 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.461 ' SD ' ' HG3' ' A' ' 1' ' ' MET . 19.1 ttt -68.09 -21.75 64.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 72.23 109.936 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.26 -35.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 64.23 109.992 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB3' HE22 ' A' ' 108' ' ' GLN . 50.2 m-85 -66.97 -25.1 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 74.11 111.396 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.73 -36.7 73.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 71.2 109.967 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 m -70.59 -29.42 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 55.15 110.044 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.407 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 18.0 m -69.65 -36.12 75.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.559 -0.746 . . . . 61.11 111.478 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.02 -41.4 59.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.909 0.385 . . . . 74.21 111.625 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.84 71.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.544 . . . . 71.3 110.571 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -51.2 50.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 71.21 112.046 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 11' ' ' VAL . 5.7 tp -63.71 -37.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.716 -0.22 . . . . 72.15 111.463 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 27.6 ttpt -74.08 -42.99 59.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 61.34 110.224 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 55.3 m -65.18 -34.81 79.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.045 -0.525 . . . . 63.15 110.769 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -29.56 66.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.374 -0.376 . . . . 45.45 111.037 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.48 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.5 mp -92.42 -28.51 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.39 -0.524 . . . . 53.42 111.938 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 50.08 41.98 38.95 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 121.424 -0.417 . . . . 62.12 113.114 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.498 HG21 HG23 ' A' ' 138' ' ' ILE . 2.9 m -68.02 -44.45 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 70.22 111.527 -175.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.12 -31.54 2.05 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 116.23 -0.441 . . . . 43.3 113.402 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -128.25 95.77 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.99 0.424 . . . . 71.15 110.083 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.686 HG21 ' HE1' ' A' ' 106' ' ' PHE . 1.6 pp -149.16 159.35 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.832 -0.622 . . . . 74.13 111.147 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 139' ' ' LEU . 4.1 mm? -110.19 99.9 8.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.095 -0.706 . . . . 72.23 109.095 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -104.52 100.82 10.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.888 -0.596 . . . . 71.13 109.768 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.559 ' HD2' HG13 ' A' ' 143' ' ' VAL . 36.0 p90 -100.62 152.44 20.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.955 -0.566 . . . . 73.24 110.95 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -112.99 105.79 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.198 0.523 . . . . 62.3 110.302 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 141' ' ' PHE . 26.9 m -105.28 165.27 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.594 -0.73 . . . . 63.02 110.111 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 56.7 p -136.3 -27.12 1.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.833 0.349 . . . . 71.43 111.24 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.85 154.66 23.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.792 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.787 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 9.6 pt-20 -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 74.13 111.612 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.2 t -70.15 -24.84 63.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.345 -0.389 . . . . 54.22 110.402 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.93 -24.94 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 55.13 110.656 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.501 ' HB2' HD11 ' A' ' 107' ' ' LEU . 25.9 ptm -103.55 19.33 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.975 0.416 . . . . 70.12 110.803 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 38.8 m -80.21 162.85 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.666 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.604 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 32.1 p80 -60.18 -38.68 83.96 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.63 0.604 . . . . 65.21 112.63 -172.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -61.84 -50.34 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.735 0.302 . . . . 73.41 110.493 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 6.1 mm-40 -62.75 -40.76 98.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.172 -0.467 . . . . 62.44 111.417 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 150' ' ' SER . 30.0 mt -56.61 -48.31 77.73 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.976 -0.29 . . . . 72.11 110.58 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 8.1 tt -60.84 -45.02 96.14 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.512 -0.551 . . . . 72.44 109.512 177.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -58.8 -46.38 87.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.316 -0.856 . . . . 65.13 111.323 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 66.8 mmtt -63.85 -48.73 75.58 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.04 0.448 . . . . 64.45 110.6 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 89' ' ' PHE . 18.1 tp -74.54 -11.32 60.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.655 -175.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -91.81 -46.31 3.71 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.57 -0.824 . . . . 72.52 111.963 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.745 ' HB2' ' HB3' ' A' ' 165' ' ' HIS . 14.1 pt-20 -65.58 -29.25 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.758 0.279 . . . . 70.3 111.288 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.516 ' HD2' ' CD2' ' A' ' 162' ' ' TYR . 3.4 pptp? -49.07 -49.02 43.55 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.552 0.533 . . . . 63.31 112.311 -175.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.516 ' CD2' ' HD2' ' A' ' 161' ' ' LYS . 17.5 m-85 -122.68 0.25 9.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.396 . . . . 64.32 111.103 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -108.08 -141.04 9.55 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.773 -0.727 . . . . 73.12 111.659 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -75.93 124.4 27.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 73.32 110.887 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' HIS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 160' ' ' GLU . 14.7 p-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.462 -0.78 . . . . 74.41 110.014 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 108.601 -0.888 . . . . 73.12 108.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -73.31 105.09 4.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.0 0.429 . . . . 73.11 110.125 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -99.38 1.53 44.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.54 . . . . 61.12 110.152 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.09 70.32 1.14 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.316 -1.114 . . . . 20.43 110.316 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.56 130.09 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.231 0.539 . . . . 74.41 111.33 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 86.1 mtp -99.24 158.11 15.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.614 -0.721 . . . . 72.34 109.567 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 132' ' ' SER . 3.5 p -111.52 112.74 41.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.036 0.446 . . . . 63.43 110.435 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.5 t70 -69.68 131.0 89.87 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.773 -0.454 . . . . 72.41 109.773 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -56.53 -26.09 62.12 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 123.274 2.649 . . . . 65.22 113.717 -173.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.69 -24.6 67.62 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.056 0.391 . . . . 74.03 112.056 -175.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' ASP . 17.8 m -68.6 -42.09 83.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.449 -0.575 . . . . 73.14 109.449 174.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -69.66 -35.92 75.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.542 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 m -59.44 -41.62 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.366 0.603 . . . . 64.14 110.308 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' HD13 ' A' ' 28' ' ' ILE . 38.2 m -69.35 -34.13 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.625 -0.716 . . . . 64.03 110.858 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.638 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 19.7 m-85 -63.9 -26.15 68.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 74.21 111.398 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 83.3 mm-40 -84.55 -42.12 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 75.14 111.403 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -59.24 -31.57 69.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.942 0.719 . . . . 72.24 112.942 -170.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.4 pt? -89.91 -36.15 15.19 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.413 -0.515 . . . . 70.2 110.618 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -67.21 -40.61 86.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 74.22 111.002 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.1 pt-20 -91.7 -3.26 56.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.322 . . . . 75.33 111.089 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.95 -114.63 0.72 Allowed Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.005 -0.838 . . . . 72.31 111.005 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -91.87 -68.87 0.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.611 -0.885 . . . . 61.52 108.611 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? 179.17 -70.76 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.321 -0.854 . . . . 73.44 109.883 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 40.5 mp0 -85.28 13.09 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.018 -0.537 . . . . 74.13 111.957 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -88.82 119.94 29.77 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.211 -0.596 . . . . 73.34 111.178 -174.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 1.011 ' H ' ' HB ' ' A' ' 44' ' ' THR . 65.3 mtt85 55.58 116.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.395 -1.275 . . . . 65.12 112.515 -175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 61.2 m-85 -100.46 173.47 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 75.22 110.539 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.64 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.0 tp -116.91 121.14 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.544 0.687 . . . . 73.14 111.342 -176.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.47 119.01 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.32 -0.855 . . . . 75.51 108.842 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HD1' HG13 ' A' ' 28' ' ' ILE . 3.1 p90 -134.47 151.21 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.348 0.594 . . . . 74.34 111.789 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HG3' ' A' ' 40' ' ' GLU . 55.9 mtpt -139.36 -172.18 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.753 -0.658 . . . . 63.43 110.628 -175.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.554 HD13 ' HA ' ' A' ' 37' ' ' VAL . 25.0 mm -110.1 126.25 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.176 0.512 . . . . 71.22 111.153 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -134.56 151.05 50.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.268 -1.012 . . . . 63.25 108.268 172.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 57.55 -95.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.553 0.533 . . . . 63.51 110.212 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -150.46 20.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.3 -0.409 . . . . 61.25 110.709 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.73 165.92 26.07 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.503 -0.479 . . . . 74.01 111.177 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.554 ' HA ' HD13 ' A' ' 32' ' ' ILE . 36.6 t -74.99 126.88 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.992 -0.549 . . . . 74.41 110.764 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 ' HE3' ' A' ' 36' ' ' LYS . 24.1 pt -121.29 153.75 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.633 0.254 . . . . 54.34 110.371 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.1 126.87 40.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.24 0.543 . . . . 73.54 110.424 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.712 ' HG3' ' HD3' ' A' ' 31' ' ' LYS . 11.6 mm-40 -96.57 -50.6 4.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.42 110.808 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.43 149.14 33.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 73.24 111.22 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -137.36 83.66 2.01 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.211 -0.904 . . . . 63.24 108.803 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.4 147.62 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.797 -0.638 . . . . 73.13 110.578 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.011 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 4.5 t -99.2 156.65 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.014 -0.365 . . . . 64.43 110.014 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 3.6 pt20 -81.5 -21.49 38.62 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.017 0.437 . . . . 74.34 110.223 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -16.72 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 74.13 110.891 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 44' ' ' THR . 18.9 pt20 -91.15 -19.77 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.924 -0.31 . . . . 74.2 111.192 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -93.68 -12.31 29.59 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.878 -0.329 . . . . 71.22 111.425 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.86 23.0 0.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 119.932 -1.127 . . . . 54.43 113.738 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.9 mm -103.55 155.82 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.618 -0.512 . . . . 53.24 109.618 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 1.6 m -52.97 -60.44 3.28 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.769 0.655 . . . . 74.32 112.769 -173.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.19 -88.98 0.11 Allowed Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.366 -0.921 . . . . 73.21 113.005 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 12.5 t70 -67.53 144.12 55.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.443 0.163 . . . . 72.01 111.031 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 8.0 t70 -56.65 -63.68 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.438 0.533 . . . . 54.13 112.438 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 86.0 t80 -100.52 -37.52 8.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.454 -0.499 . . . . 74.24 111.415 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.84 -15.34 62.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 73.33 110.108 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 17.9 m-20 -120.17 -1.92 10.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.526 -0.761 . . . . 54.0 110.85 171.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.1 m 60.84 32.17 20.08 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.452 0.47 . . . . 73.54 112.187 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 m -74.21 -15.26 61.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.625 0.602 . . . . 70.14 112.625 -174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.613 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -56.43 -22.92 35.1 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 110.244 -0.28 . . . . 72.33 110.244 175.139 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.69 -27.64 5.02 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.357 -0.383 . . . . 60.1 111.352 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -62.06 -27.57 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.433 . . . . 72.42 110.93 176.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.755 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 28.2 m-85 -72.17 -19.82 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.305 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.1 t70 -58.27 -31.55 67.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 63.31 110.678 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -86.82 -22.31 25.92 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.781 -0.367 . . . . 72.24 110.322 175.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 63' ' ' PHE . 22.3 m-85 -71.37 -30.6 66.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 73.32 111.571 -177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.0 m -63.75 -31.19 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 61.42 110.077 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.38 -41.53 24.47 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.317 -0.623 . . . . 51.51 109.317 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 9.7 t70 -50.56 -35.88 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.093 -0.958 . . . . 74.01 109.881 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 66' ' ' PHE . 75.9 t -65.0 -57.39 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.772 -0.649 . . . . 72.02 111.469 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -84.45 -20.71 31.31 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 119.548 -0.861 . . . . 72.41 112.748 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -70.61 -61.27 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.497 0.189 . . . . 71.1 111.264 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 7.9 ppt_? -80.53 -3.08 48.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.218 0.451 . . . . 53.31 112.218 -172.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 79' ' ' ASP . 68.4 p -101.83 -5.99 24.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.156 -0.312 . . . . 73.23 110.156 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 t70 67.99 -59.88 0.42 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.199 -0.91 . . . . 64.32 111.856 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -145.04 51.49 1.22 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 71.0 110.89 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt 59.76 33.82 21.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.858 -0.61 . . . . 70.53 112.125 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -75.16 -40.68 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 62.52 111.146 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 74' ' ' THR . 28.1 t70 -95.16 141.87 28.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.41 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.01 161.21 35.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.099 -0.501 . . . . 55.04 109.731 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.03 166.44 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.741 0.305 . . . . 75.21 111.211 -175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.595 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.33 127.53 55.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.026 -1.102 . . . . 64.11 108.026 176.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -130.09 141.23 50.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.9 0.381 . . . . 74.42 111.105 -174.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.64 ' HB ' HG23 ' A' ' 28' ' ' ILE . 23.4 t -130.37 128.1 63.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.087 -0.506 . . . . 53.44 111.419 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.411 ' O ' HG12 ' A' ' 105' ' ' ILE . 27.9 m-85 -139.02 131.4 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 75.41 109.798 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -86.68 100.84 12.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.895 -0.78 . . . . 43.03 108.895 169.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HZ ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 m-30 -93.77 134.51 36.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.613 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 1.8 ttmp? -107.54 127.74 53.89 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 73.33 109.999 174.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.673 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 8.8 p90 -143.64 178.45 7.78 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.696 -0.684 . . . . 74.12 109.27 -176.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 75.2 p -119.71 121.2 38.69 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.768 -0.373 . . . . 63.34 110.211 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 50.2 t -102.22 131.36 48.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.217 -0.66 . . . . 73.43 109.217 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m -63.66 116.06 5.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.876 0.37 . . . . 64.42 110.47 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -77.29 123.56 26.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.226 -0.657 . . . . 62.03 109.226 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.47 112.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 62.23 110.599 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 4.03 65.35 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 62.53 112.681 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.77 -160.8 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.83 0.315 . . . . 74.1 110.783 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -159.7 35.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.972 -0.633 . . . . 45.21 112.69 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 2.0 p -81.43 136.52 35.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 74.31 111.706 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -105.86 116.04 31.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 75.23 110.084 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.6 116.74 22.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.211 -0.45 . . . . 70.45 109.877 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.8 ttt -131.35 135.41 47.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.398 . . . . 75.31 110.819 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.9 p30 -107.53 141.8 38.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.597 -0.52 . . . . 65.42 109.597 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.593 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -165.04 148.55 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.435 0.636 . . . . 75.32 111.775 176.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.593 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -75.3 132.47 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.719 -1.128 . . . . 74.24 111.409 -177.28 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 33.0 pt -113.69 136.92 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.722 175.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.553 ' HE2' HG21 ' A' ' 138' ' ' ILE . 30.0 m-85 -92.41 104.33 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.078 -0.51 . . . . 62.5 110.096 173.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 6.6 tt -90.67 102.15 14.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.239 -0.652 . . . . 62.03 109.239 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 142' ' ' GLN . 49.0 tp60 -103.89 113.45 26.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.309 -0.405 . . . . 74.42 110.682 176.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.492 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.5 mt -84.27 116.83 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 144' ' ' SER . 46.3 t -132.04 82.46 59.17 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 120.87 0.366 . . . . 63.44 110.34 -178.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.916 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.9 Cg_exo -63.23 130.31 28.33 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.547 2.165 . . . . 54.43 110.921 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.72 -41.93 91.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 54.31 111.164 -174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.7 22.14 40.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.906 -0.664 . . . . 73.53 112.904 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.916 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -80.63 175.9 10.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.721 0.296 . . . . 62.43 110.932 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.496 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 4.8 m -61.89 94.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.902 -0.59 . . . . 74.21 110.816 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.5 mt -50.06 -43.97 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.572 0.582 . . . . 74.12 112.572 -174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -51.74 68.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.49 0.552 . . . . 64.34 112.49 -175.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 16.1 pttp -85.93 -21.02 28.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.593 -0.443 . . . . 73.21 111.039 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 30.1 ttpt -75.26 -30.74 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.877 -0.416 . . . . 71.45 109.877 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -65.71 -27.96 68.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.214 -0.661 . . . . 65.13 109.214 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 32' ' ' ILE . 47.8 t -58.81 -41.74 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.667 . . . . 71.22 109.893 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.9 -34.59 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.424 -0.353 . . . . 71.42 111.066 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.69 -34.41 78.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.284 0.564 . . . . 73.2 109.949 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.7 m -71.57 -33.6 69.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 54.2 110.009 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.459 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.2 m -68.05 -36.12 79.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 64.31 111.327 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -54.72 -41.09 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 53.31 111.114 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.64 64.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.14 111.08 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.29 -44.59 24.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.351 -0.386 . . . . 54.14 111.591 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.8 tp -60.93 -35.47 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.325 -0.398 . . . . 61.33 111.112 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -26.5 45.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.865 0.364 . . . . 74.11 110.826 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.2 m -76.96 -41.32 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.531 -0.304 . . . . 74.53 110.615 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.635 ' HB3' HG11 ' A' ' 7' ' ' VAL . 10.8 p -64.83 -40.44 95.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 75.4 111.248 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.56 -27.37 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.393 . . . . 73.14 111.183 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.64 -82.52 1.06 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.57 -0.824 . . . . 64.21 111.617 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.819 HG21 HG23 ' A' ' 138' ' ' ILE . 11.5 m 63.78 -65.99 0.11 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.699 0.8 . . . . 64.24 112.548 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.91 -30.46 9.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.476 -0.392 . . . . 54.33 112.85 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -160.9 123.43 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 73.33 110.665 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.819 HG23 HG21 ' A' ' 135' ' ' THR . 1.6 pp -143.41 177.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.88 -0.6 . . . . 75.23 111.181 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.39 102.19 9.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 70.53 109.769 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -105.15 124.09 48.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.279 -0.419 . . . . 75.12 109.989 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 52.2 p90 -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.836 -0.431 . . . . 72.41 109.836 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 76.9 mt-30 -115.19 122.79 47.11 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.603 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.728 HG11 ' HB3' ' A' ' 149' ' ' MET . 21.6 m -106.23 130.72 57.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.933 -0.576 . . . . 71.11 110.464 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 110' ' ' CYS . 13.5 p -91.77 -18.28 24.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 71.51 110.548 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.96 167.75 25.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.304 -0.862 . . . . 72.12 109.99 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.681 ' HA ' ' HG2' ' A' ' 149' ' ' MET . 0.0 OUTLIER -81.48 -21.83 38.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.687 -0.688 . . . . 75.33 112.03 -175.478 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.1 t -67.62 -40.2 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.795 0.331 . . . . 63.02 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -71.03 -36.07 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.813 0.301 . . . . 71.44 111.813 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.728 ' HB3' HG11 ' A' ' 143' ' ' VAL . 25.7 ptm -81.75 29.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 61.42 111.656 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.0 m -54.54 151.01 8.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.742 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.54 -24.77 57.95 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.343 0.497 . . . . 72.41 112.343 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -73.29 -34.29 65.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -63.98 -33.77 76.49 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.438 -0.105 . . . . 64.41 111.006 -173.031 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.38 -37.48 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 73.54 110.655 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.89 -52.19 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.421 -0.585 . . . . 61.32 109.421 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -63.6 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 73.52 110.952 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -69.87 -40.32 75.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.028 -0.533 . . . . 63.3 111.19 -177.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.5 tp -77.64 -10.86 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.041 0.448 . . . . 64.32 110.136 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.98 -41.88 3.19 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.825 -0.702 . . . . 54.22 113.347 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.46 -22.11 61.06 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.523 0.934 . . . . 65.15 113.523 -170.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.585 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -64.01 -39.5 94.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.84 -0.344 . . . . 70.44 111.649 -173.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.585 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.9 m-85 -125.03 11.74 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 73.02 111.074 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -114.55 -156.08 11.38 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.766 -0.731 . . . . 73.03 111.742 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.26 131.76 34.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 73.24 110.292 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 C--N 1.317 -0.827 0 CA-C-O 118.398 -0.81 . . . . 64.41 109.682 -179.045 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' HA ' ' SD ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.242 -0.651 . . . . 75.13 109.242 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -74.95 66.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 43.04 110.803 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -126.13 -18.28 5.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 55.42 110.084 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.35 101.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.448 -0.882 . . . . 63.22 111.745 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.77 129.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.692 -0.484 . . . . 60.42 109.692 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 36.9 mtt -99.42 169.46 9.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.264 -0.426 . . . . 70.14 109.854 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.12 120.06 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.964 0.411 . . . . 72.1 111.236 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.91 136.02 83.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.919 -0.582 . . . . 70.1 110.154 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.87 -26.37 80.5 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 62.1 111.311 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.26 -33.86 68.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.14 -0.936 . . . . 75.24 111.004 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.37 -46.98 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.208 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.03 -40.64 95.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.522 . . . . 72.01 110.926 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 m -59.72 -39.48 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 54.25 110.489 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.611 ' HB3' HD13 ' A' ' 28' ' ' ILE . 21.8 m -75.75 -19.01 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.484 -0.78 . . . . 63.3 111.221 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.8 m-85 -81.54 -43.09 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.958 0.409 . . . . 64.02 111.332 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -71.43 -14.33 62.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.838 0.31 . . . . 74.13 111.838 -174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.8 ptmm? -71.58 -18.24 62.25 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.847 -0.341 . . . . 72.01 111.211 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.2 pt? -123.87 -34.12 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.281 -0.568 . . . . 74.44 111.154 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -58.78 -53.99 52.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.996 0.427 . . . . 71.33 110.41 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -110.29 26.85 10.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.37 -0.604 . . . . 62.25 109.37 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.29 -124.51 2.77 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.733 -0.746 . . . . 74.41 113.009 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -99.36 15.87 24.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.976 0.362 . . . . 73.23 111.976 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 29.5 mtpp 52.15 -95.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.854 1.057 . . . . 72.43 113.854 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.669 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 3.3 mp0 -71.86 -6.53 42.37 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.08 0.4 . . . . 75.25 112.08 -170.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -92.7 121.81 34.48 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.336 -0.546 . . . . 75.32 110.78 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' N ' ' HB ' ' A' ' 44' ' ' THR . 65.0 mtt-85 54.85 116.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.255 -1.339 . . . . 61.51 112.261 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -98.14 178.68 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.32 -0.622 . . . . 70.44 109.32 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.676 HG13 ' HD1' ' A' ' 30' ' ' PHE . 5.0 tp -120.47 124.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.453 0.645 . . . . 73.1 111.882 -173.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -115.73 116.99 54.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.174 -0.921 . . . . 72.34 109.286 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.676 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.5 p90 -133.37 153.75 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 63.22 111.294 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -142.27 154.08 44.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.29 -0.414 . . . . 62.14 111.125 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mm -78.16 128.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.18 -0.464 . . . . 73.41 109.879 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -132.79 116.76 16.94 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.284 -0.635 . . . . 73.05 109.284 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 71.94 -64.42 0.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.003 0.814 . . . . 74.03 111.039 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -151.98 -46.61 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.585 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -93.81 164.33 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.732 -175.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.549 HG21 ' HD2' ' A' ' 30' ' ' PHE . 7.2 p -90.29 134.59 28.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.009 -0.541 . . . . 62.42 110.412 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.674 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.7 pt -118.65 154.3 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 70.54 110.52 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.71 122.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.894 -0.41 . . . . 54.34 109.894 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -95.75 -50.83 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.717 -0.393 . . . . 52.32 110.4 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.55 142.49 29.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.662 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.77 74.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.944 -0.761 . . . . 71.33 108.944 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.75 150.37 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.468 -0.787 . . . . 74.44 111.299 -172.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.662 ' HB ' ' N ' ' A' ' 26' ' ' ARG . 5.8 t -111.54 163.07 14.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.044 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 pt20 -65.22 -23.71 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.187 0.517 . . . . 53.21 110.077 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 7.9 t70 -57.59 -60.84 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.855 . . . . 73.3 110.488 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 44' ' ' THR . 18.9 pt20 -70.23 -21.68 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 70.42 110.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 45.1 tp -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.252 -0.886 . . . . 72.43 110.848 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.38 -11.26 3.0 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.345 -0.931 . . . . 71.01 112.53 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.677 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.0 mm -85.81 179.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.171 -0.677 . . . . 72.13 109.171 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 50' ' ' ILE . 17.1 m -87.33 -32.9 19.4 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.18 0.808 . . . . 74.23 113.18 -168.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.72 -104.76 0.2 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 118.953 -1.594 . . . . 73.44 114.853 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 56' ' ' ASP . 4.7 m-20 -73.49 140.14 46.21 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.231 0.456 . . . . 71.4 112.231 -170.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.94 -64.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.736 -0.665 . . . . 72.33 112.588 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 13.2 t80 -99.29 -42.91 6.8 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.939 -0.704 . . . . 74.42 110.891 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.1 m-20 -52.25 -43.43 64.35 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.489 0.493 . . . . 63.32 111.415 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -114.62 14.45 17.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.051 0.453 . . . . 74.05 110.467 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m 60.79 24.18 14.1 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.015 0.746 . . . . 64.32 113.015 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.6 m -80.42 -0.02 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.292 . . . . 74.2 111.317 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.26 54.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.084 -0.507 . . . . 75.02 110.853 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.93 -23.29 1.89 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.876 -0.602 . . . . 72.13 111.431 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.78 -35.82 71.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 52.01 110.77 174.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -76.47 -23.34 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 72.43 110.674 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -33.4 74.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 60.5 110.355 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -86.82 -23.92 25.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 75.43 110.86 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.4 m-85 -62.9 -44.78 95.16 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.425 -0.352 . . . . 60.33 111.525 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.794 HG12 ' HG3' ' A' ' 149' ' ' MET . 30.5 m -57.3 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 63.42 111.682 -175.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.96 -38.62 20.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.442 -0.345 . . . . 65.41 111.367 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 3.5 t70 -65.83 -34.07 77.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.362 -0.607 . . . . 55.53 109.362 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 66' ' ' PHE . 76.1 t -57.48 -41.48 78.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.744 -0.662 . . . . 53.13 110.179 174.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.64 -50.71 70.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.429 0.633 . . . . 73.33 109.914 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -54.29 -37.23 64.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.601 -1.181 . . . . 72.43 111.903 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 31.7 mmt180 -85.55 -45.44 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.311 0.486 . . . . 75.43 112.311 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 79' ' ' ASP . 79.1 p -84.25 -13.55 52.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.877 0.325 . . . . 45.5 111.877 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.56 -72.06 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.71 0.631 . . . . 62.5 111.012 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -134.88 56.37 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.959 -0.386 . . . . 74.23 109.959 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER 41.94 42.03 2.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.217 -0.901 . . . . 62.31 112.851 177.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -93.84 12.24 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.35 0.595 . . . . 54.31 110.195 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.63 ' HB3' HG22 ' A' ' 74' ' ' THR . 23.7 t70 -125.97 142.44 51.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.11 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 p -134.88 149.92 50.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.043 -0.526 . . . . 72.31 109.865 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.505 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 17.9 ptt180 -161.92 167.87 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 73.24 110.942 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -116.12 128.84 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 75.24 110.075 -176.174 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.25 146.99 45.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.716 0.293 . . . . 60.05 110.707 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.5 t -133.19 130.27 57.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.093 0.473 . . . . 75.51 110.824 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -133.6 145.26 49.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.074 -0.713 . . . . 72.32 109.074 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.668 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.4 t70 -90.9 97.6 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.385 -1.339 . . . . 73.23 107.385 169.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.64 108.31 19.6 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.712 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.669 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -111.39 134.5 52.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 74.55 110.573 178.044 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.9 p90 -145.73 -172.83 3.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.095 -0.957 . . . . 71.33 109.268 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 18.5 p -126.26 136.55 52.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.017 0.436 . . . . 71.12 111.097 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 98' ' ' THR . 80.2 m -116.51 132.48 56.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 63.42 110.526 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.7 m -72.03 103.89 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 65.04 109.81 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 59.8 ttt180 -83.7 135.28 34.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.912 -0.585 . . . . 74.23 110.598 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 119.45 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 75.34 110.463 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.59 2.63 67.34 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.593 -0.73 . . . . 62.32 111.46 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.95 -159.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.183 -0.302 . . . . 72.04 110.183 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.68 -155.49 10.38 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.46 -0.656 . . . . 70.14 111.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 1.6 p -76.56 117.7 18.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.124 0.462 . . . . 73.41 110.561 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' THR . 12.9 m -101.97 141.27 35.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.046 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -74.97 130.43 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.154 -0.313 . . . . 72.42 110.154 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.1 mtt -135.16 111.13 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.185 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.4 p-10 -104.23 147.87 26.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.632 -0.713 . . . . 72.24 109.747 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 1.015 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.47 115.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 71.33 111.363 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 9.0 tt -65.49 121.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 73.43 109.981 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.543 HG21 HD21 ' A' ' 158' ' ' LEU . 23.0 pt -121.42 147.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.05 0.453 . . . . 73.44 111.618 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.561 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 48.7 m-85 -94.18 102.79 14.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.623 -0.717 . . . . 62.22 110.452 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HG ' ' HE1' ' A' ' 141' ' ' PHE . 8.9 tt -91.87 102.25 14.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.871 -0.604 . . . . 60.31 109.397 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -96.92 112.1 24.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.874 -0.603 . . . . 64.22 110.55 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.46 105.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.108 -0.701 . . . . 65.41 109.108 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.5 t -146.36 90.61 5.61 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.998 -0.546 . . . . 61.13 110.084 -176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.891 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 20.1 Cg_exo -67.24 157.66 60.69 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.582 2.188 . . . . 65.43 111.947 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.42 -56.05 4.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.921 -0.399 . . . . 54.52 109.921 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.93 53.33 4.72 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 65.04 111.536 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -113.28 177.23 4.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.705 0.288 . . . . 74.3 110.882 -176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -66.33 89.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.756 -0.656 . . . . 54.41 110.137 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.57 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 72.6 mt -52.82 -31.31 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 O-C-N 123.742 0.651 . . . . 74.33 112.417 -171.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -55.31 -65.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.729 0.299 . . . . 73.45 111.196 -178.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -79.5 -21.28 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 75.43 110.833 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 116' ' ' ILE . 29.7 tttp -65.38 -38.99 91.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.343 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.508 ' SD ' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -76.28 -22.06 55.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 70.54 110.058 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.2 t -63.61 -43.08 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.453 -0.573 . . . . 45.43 109.453 175.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 31.1 m-85 -67.15 -26.61 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 73.51 111.802 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.11 75.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.387 0.613 . . . . 71.25 109.758 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 m -77.64 -31.38 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 61.05 109.823 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 m -67.59 -34.17 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.107 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.498 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -60.35 -39.48 87.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.018 0.437 . . . . 65.1 110.589 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.73 -38.11 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 75.35 110.321 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.71 -51.11 53.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 45.35 111.105 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.0 tp -61.14 -33.0 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.089 0.471 . . . . 62.24 110.178 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 130' ' ' LYS . 19.5 ttpt -65.39 -46.47 79.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 63.2 110.204 176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.7 m -66.93 -38.26 85.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.654 . . . . 55.22 111.212 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 p -69.0 -31.46 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.866 0.321 . . . . 72.53 111.866 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 11.0 mp -99.21 -28.08 13.51 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.391 -0.524 . . . . 73.35 112.034 -177.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 47.04 50.1 16.54 Favored Glycine 0 CA--C 1.521 0.46 0 O-C-N 123.388 0.43 . . . . 50.31 112.851 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.579 HG21 HG23 ' A' ' 138' ' ' ILE . 3.5 m -66.08 -46.18 78.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.388 . . . . 45.43 111.599 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.27 7.39 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.058 -0.592 . . . . 75.13 112.598 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -153.44 114.93 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.917 0.389 . . . . 63.42 110.577 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.579 HG23 HG21 ' A' ' 135' ' ' THR . 1.1 pp -150.69 159.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 75.14 110.138 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -97.28 98.94 10.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.495 -0.928 . . . . 71.25 108.495 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -104.15 119.34 38.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.445 -0.798 . . . . 65.43 109.184 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.591 ' HE1' ' HG ' ' A' ' 107' ' ' LEU . 9.4 p90 -132.38 143.78 50.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.031 -0.531 . . . . 74.02 110.856 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -97.65 111.15 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 71.33 109.673 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.508 HG13 ' HD1' ' A' ' 141' ' ' PHE . 35.7 m -104.87 150.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.756 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.875 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.6 p -140.43 -46.0 0.41 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.003 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.39 154.31 26.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.057 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.458 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 12.7 pt-20 -53.23 -39.46 63.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 64.42 111.291 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -64.01 -38.98 93.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.562 -0.29 . . . . 64.42 110.857 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.445 ' HB3' HG12 ' A' ' 143' ' ' VAL . 46.6 mt-10 -65.41 -34.24 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.554 . . . . 61.44 110.895 -177.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.794 ' HG3' HG12 ' A' ' 67' ' ' VAL . 23.9 ptp -95.96 12.72 29.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 70.15 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.2 m -92.54 164.65 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 72.24 111.084 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -60.85 -25.59 66.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 63.13 111.911 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -65.96 -58.96 4.34 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.625 0.231 . . . . 71.52 111.625 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 4.5 mm-40 -64.38 -38.54 91.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.755 0.28 . . . . 64.44 111.755 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 mt -59.95 -41.39 91.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.795 0.331 . . . . 73.25 110.566 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.23 -37.67 72.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.219 -0.446 . . . . 72.14 109.894 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.02 -49.15 77.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.667 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 10.6 mptt -66.33 -48.53 69.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.674 0.75 . . . . 73.42 110.73 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.543 HD21 HG21 ' A' ' 105' ' ' ILE . 38.5 mt -67.51 -15.35 63.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.236 -0.893 . . . . 71.05 111.694 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -90.99 -39.27 5.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.477 -0.868 . . . . 44.53 112.323 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 13.7 pt-20 -69.56 -32.74 71.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.902 0.351 . . . . 72.42 111.3 -177.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.758 ' HG3' ' H ' ' A' ' 162' ' ' TYR . 16.1 pttp -48.1 -63.79 0.97 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.451 0.469 . . . . 62.31 112.242 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.758 ' H ' ' HG3' ' A' ' 161' ' ' LYS . 48.6 m-85 -122.9 24.2 9.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.115 0.484 . . . . 75.31 110.931 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -108.66 -78.17 1.05 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.747 -0.74 . . . . 61.14 111.618 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -158.61 127.06 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.953 -0.388 . . . . 62.44 109.953 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 67.9 m80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.569 -0.729 . . . . 64.23 110.583 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' CB ' ' HB3' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.449 0.166 . . . . 63.02 111.033 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -81.44 36.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.499 0.666 . . . . 45.4 109.951 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -90.05 -16.73 29.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.362 -0.835 . . . . 62.23 111.215 -173.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 92.28 0.76 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.274 -0.965 . . . . 63.34 111.921 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.75 128.45 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.79 0.328 . . . . 73.35 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 23.5 ptm -107.08 153.98 21.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.301 -0.409 . . . . 73.25 110.163 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.711 HG12 ' HB ' ' A' ' 37' ' ' VAL . 31.5 m -117.0 143.81 26.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.607 -0.269 . . . . 64.4 110.363 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.82 151.61 91.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.469 -0.567 . . . . 75.13 109.469 178.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.14 -34.53 87.98 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.03 2.486 . . . . 55.14 114.105 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.6 -10.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.878 -0.329 . . . . 72.31 111.788 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' ASP . 32.7 m -58.55 -49.55 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.897 -0.721 . . . . 73.11 109.411 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.876 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 44.3 mt-30 -71.94 -35.54 69.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.563 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.624 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 10.4 m -59.71 -31.97 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.055 -0.521 . . . . 75.25 110.288 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.574 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 68.8 m -79.21 -32.44 44.02 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.342 -0.39 . . . . 64.14 111.482 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.876 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 51.9 m-85 -62.2 -40.49 96.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.518 0.675 . . . . 73.13 109.962 175.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.42 -15.99 53.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.449 -0.796 . . . . 73.53 110.385 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 13' ' ' THR . 29.6 ttmt -73.91 -28.26 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 74.33 110.772 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 3.6 pp -93.21 -31.35 14.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.909 0.385 . . . . 72.32 110.614 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 m -76.77 -10.44 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 55.54 112.124 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.72 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.26 0.467 . . . . 53.42 112.26 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.26 -84.57 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.875 -1.155 . . . . 54.41 113.685 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.9 tpt180 -94.2 -18.97 21.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.789 0.292 . . . . 71.42 111.789 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.1 mtpm? 74.1 -44.68 0.57 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.913 0.485 . . . . 73.22 110.101 -173.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.19 18.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 74.43 110.643 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -75.78 -166.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.669 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.746 ' HD3' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -40.31 125.17 2.04 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.71 0.631 . . . . 64.41 111.642 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 80.6 m-85 -97.0 163.47 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.0 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.591 HG13 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -107.04 113.95 44.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.788 -0.642 . . . . 72.33 111.507 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mm -109.56 122.38 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.282 -0.872 . . . . 71.22 109.062 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HG13 ' A' ' 28' ' ' ILE . 3.7 p90 -137.63 142.55 41.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.381 0.61 . . . . 74.02 112.156 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mptm? -127.27 178.33 6.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.566 -0.743 . . . . 73.0 110.52 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.441 HD11 ' OG ' ' A' ' 125' ' ' SER . 13.3 mm -92.56 123.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.915 -0.584 . . . . 71.15 110.539 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 38' ' ' ILE . 17.1 t70 -108.5 96.26 6.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.86 -0.793 . . . . 73.44 108.86 173.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 68.05 -69.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.395 -0.821 . . . . 74.2 111.351 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.47 -14.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.937 0.347 . . . . 72.34 111.937 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -116.81 154.35 30.88 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.986 -0.686 . . . . 74.04 111.517 -177.444 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.711 ' HB ' HG12 ' A' ' 7' ' ' VAL . 40.9 t -90.05 121.95 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 61.33 109.965 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -119.77 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.853 0.359 . . . . 71.14 110.739 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.22 121.1 14.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 54.42 110.478 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -91.29 -55.76 3.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.052 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.21 141.08 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 64.45 111.194 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.88 81.09 1.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.635 -0.711 . . . . 75.5 109.117 172.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -134.63 141.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.877 -0.601 . . . . 62.45 110.79 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 47' ' ' GLN . 3.6 t -100.75 156.78 17.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.363 -0.38 . . . . 61.22 110.029 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.765 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 10.8 pt20 -68.96 -19.3 64.16 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 120.882 0.372 . . . . 74.12 110.312 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.12 -53.57 56.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.796 -0.638 . . . . 63.24 110.346 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.656 ' H ' HG23 ' A' ' 44' ' ' THR . 4.2 pt20 -80.31 -17.48 51.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.386 -0.37 . . . . 75.42 110.653 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 55.6 tp -65.63 -15.65 62.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.8 -0.636 . . . . 75.25 110.352 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.88 36.5 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.837 -0.697 . . . . 74.53 112.023 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 51' ' ' THR . 16.1 mm -92.35 171.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.087 -0.709 . . . . 72.44 109.087 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.606 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.1 m -58.25 -59.5 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.716 0.265 . . . . 65.03 111.716 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.23 -91.71 0.13 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 63.14 112.127 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.733 ' HB2' ' H ' ' A' ' 57' ' ' ASP . 1.7 m-20 -65.32 133.89 52.39 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.685 -0.487 . . . . 74.55 109.685 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.18 -64.53 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.118 0.785 . . . . 75.12 113.118 -172.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.997 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 12.1 t80 -109.32 -17.12 13.89 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.543 -0.723 . . . . 70.24 110.528 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.19 -55.66 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.1 -0.5 . . . . 74.21 110.678 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.733 ' H ' ' HB2' ' A' ' 53' ' ' ASP . 37.0 t0 -94.93 7.2 46.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.355 0.598 . . . . 75.11 109.627 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.0 m 61.72 83.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 64.34 112.186 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -125.85 2.49 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.695 -0.684 . . . . 64.22 110.268 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -54.94 -24.95 26.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.856 -0.611 . . . . 61.41 111.209 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.09 -27.2 63.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.213 -0.449 . . . . 45.21 111.275 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.52 81.23 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.069 0.461 . . . . 60.14 110.008 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 99.5 m-85 -79.8 -22.37 43.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.816 -0.629 . . . . 73.43 110.351 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -38.94 92.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.709 -0.678 . . . . 75.44 110.156 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.04 -22.38 25.51 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.866 0.365 . . . . 72.04 110.384 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.686 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 73.5 t80 -58.8 -49.17 78.69 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 123.181 0.592 . . . . 73.5 111.29 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.8 m -60.32 -24.68 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 74.42 110.963 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 27.5 mm-40 -77.54 -49.85 13.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.091 -0.504 . . . . 52.03 111.0 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 24.8 t70 -57.08 -42.85 81.46 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.304 -0.628 . . . . 70.4 109.304 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.543 HG13 HH22 ' A' ' 81' ' ' ARG . 73.5 t -57.68 -51.63 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.468 -0.787 . . . . 75.04 110.832 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -72.48 -20.23 61.41 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.939 -0.705 . . . . 74.45 111.019 -173.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 m -75.31 -49.77 18.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.538 -0.301 . . . . 74.35 110.868 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 13.0 ptm180 -73.74 -31.59 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.986 0.422 . . . . 72.33 111.201 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -76.81 -27.56 55.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 71.43 109.858 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 64.49 -77.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.263 -0.881 . . . . 70.03 111.028 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -105.05 -76.63 0.6 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.903 -0.406 . . . . 64.41 109.903 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -165.03 31.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.387 0.613 . . . . 62.32 109.707 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -81.66 -49.15 10.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.457 -0.792 . . . . 72.51 111.38 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -77.4 140.95 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.03 0.443 . . . . 73.41 110.525 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 p -156.05 145.29 20.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.946 -0.57 . . . . 71.53 109.806 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.543 HH22 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -162.99 168.33 21.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.994 0.426 . . . . 63.42 111.806 -176.338 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 36.6 m-85 -114.1 141.87 46.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 72.53 110.466 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -149.4 157.55 43.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.457 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.517 HG21 ' HE1' ' A' ' 15' ' ' PHE . 84.4 t -136.91 131.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.508 -0.315 . . . . 62.52 110.454 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.79 147.06 49.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.18 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.775 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 23.0 t70 -95.64 100.48 12.21 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.869 -0.789 . . . . 64.01 108.869 171.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HE1' ' CZ ' ' A' ' 63' ' ' PHE . 32.9 m-85 -91.29 145.94 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.208 0.528 . . . . 63.2 112.285 -175.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 36.7 ttmt -128.38 116.62 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.388 -0.823 . . . . 73.42 109.903 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.997 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.6 p90 -126.54 177.42 6.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.893 0.377 . . . . 72.23 110.874 -173.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -127.88 122.67 33.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 72.22 109.932 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 50.2 t -109.19 141.51 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.352 -0.386 . . . . 75.23 110.513 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 p -72.83 117.11 14.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 24.21 109.841 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.669 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.5 tmt_? -94.01 121.17 35.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.298 -0.631 . . . . 63.23 109.298 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.08 113.53 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.158 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.57 7.87 58.79 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.803 -0.713 . . . . 51.22 112.078 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.57 -160.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.972 -0.381 . . . . 72.33 109.972 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.95 -153.44 25.37 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.625 -0.798 . . . . 61.13 112.145 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 p -81.34 121.03 25.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.144 0.497 . . . . 60.12 111.01 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -95.19 111.52 23.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.609 . . . . 33.35 110.992 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 6.3 tmmm? -85.79 116.66 24.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.006 -0.543 . . . . 75.52 109.797 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.8 mtt -135.9 156.82 48.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.153 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.5 p30 -127.77 153.0 47.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.462 -0.335 . . . . 73.4 110.321 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.746 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -165.58 122.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.91 0.386 . . . . 61.33 111.484 176.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.775 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 14.7 tt -69.82 132.43 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.672 -0.694 . . . . 62.34 110.064 174.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 87' ' ' PHE . 32.4 pt -137.22 158.63 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 75.42 112.044 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.693 ' HB3' ' HG2' ' A' ' 140' ' ' GLN . 2.8 m-85 -86.72 132.31 33.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.153 -0.931 . . . . 74.25 111.4 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 83' ' ' ALA . 7.5 tt -112.56 104.24 12.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.513 -0.767 . . . . 65.14 109.751 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.542 HE21 ' HB3' ' A' ' 110' ' ' CYS . 45.6 tt0 -102.31 104.69 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 72.43 111.105 176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 107' ' ' LEU . 64.7 mt -91.21 93.08 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.91 -0.774 . . . . 64.04 108.91 171.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.542 ' HB3' HE21 ' A' ' 108' ' ' GLN . 51.6 t -133.53 97.21 16.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.32 -0.4 . . . . 75.43 110.973 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.747 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 40.6 Cg_exo -60.93 120.27 7.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.024 2.483 . . . . 73.4 111.424 173.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 33.5 t70 -73.26 -25.58 60.75 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.638 -0.425 . . . . 61.2 110.799 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.11 10.9 66.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 54.44 112.264 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -79.18 176.78 9.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 62.51 110.859 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.2 m -57.45 107.4 0.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 42.31 110.959 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 86.3 mt -56.85 -43.21 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.276 0.843 . . . . 71.35 113.276 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.77 -51.24 70.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 53.35 111.385 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -85.21 -21.2 29.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.476 -0.329 . . . . 64.42 110.858 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 32.4 ttpt -64.52 -39.79 94.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.466 -0.568 . . . . 63.44 109.466 174.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.463 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 53.6 mtt -59.79 -33.38 71.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.507 -0.77 . . . . 72.23 110.546 177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.56 -48.94 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 75.12 110.117 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 75.11 111.067 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.23 89.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 64.34 110.697 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 m -69.72 -22.66 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 52.32 110.571 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' ILE . 21.2 m -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.726 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.59 86.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.092 0.472 . . . . 61.24 110.616 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.44 -39.68 77.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 33.14 110.538 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.92 -54.79 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 61.45 111.653 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' HD13 ' A' ' 133' ' ' LEU . 5.4 tp -60.29 -31.75 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.452 -0.34 . . . . 64.22 110.718 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -71.86 -43.57 65.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.978 -0.379 . . . . 74.4 109.978 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.7 m -58.75 -39.08 79.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 65.52 111.421 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 p -69.29 -38.57 78.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.398 -0.365 . . . . 71.43 111.609 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 15' ' ' PHE . 11.2 mp -88.67 -26.61 21.76 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.67 -0.412 . . . . 74.02 111.986 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.46 -90.5 0.54 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.794 -0.717 . . . . 64.03 111.388 -174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.7 p 45.53 -102.11 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.76 0.824 . . . . 53.42 112.718 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.55 -24.37 32.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.105 -0.569 . . . . 55.32 112.884 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.601 ' H ' ' HD3' ' A' ' 137' ' ' LYS . 0.2 OUTLIER -101.67 32.18 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.309 0.576 . . . . 73.34 110.638 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.4 pp -109.97 161.87 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.425 -0.807 . . . . 62.15 110.074 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 161' ' ' LYS . 3.0 mm? -101.09 138.66 37.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.321 -0.622 . . . . 73.01 109.321 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -132.33 112.52 12.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 65.44 110.031 -175.26 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 107' ' ' LEU . 37.4 p90 -110.9 131.62 54.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 74.32 110.657 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -102.75 115.03 29.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.621 -0.718 . . . . 74.44 109.874 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 141' ' ' PHE . 33.7 m -119.94 149.36 22.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.203 -0.453 . . . . 62.04 111.537 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 17.5 p -138.15 2.95 2.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.781 -0.645 . . . . 52.22 110.802 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.97 151.03 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 74.44 110.476 -175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.725 ' HA ' ' HE2' ' A' ' 149' ' ' MET . 7.1 pt-20 -63.13 -41.06 99.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.258 0.466 . . . . 55.11 112.258 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.5 t -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.224 0.535 . . . . 63.51 110.357 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.3 2.64 20.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.838 -0.619 . . . . 74.25 111.889 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.725 ' HE2' ' HA ' ' A' ' 146' ' ' GLU . 26.6 ptt? -125.89 14.35 7.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.272 0.558 . . . . 75.04 110.14 175.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.6 m -75.91 169.7 17.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 63.31 110.405 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -57.0 -26.66 60.61 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.256 0.465 . . . . 63.34 112.256 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -55.25 -48.66 73.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.767 0.318 . . . . 73.33 110.838 172.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -59.1 -46.24 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.815 -0.63 . . . . 65.24 111.708 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 99.1 mt -58.31 -45.93 87.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 72.21 110.595 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 155' ' ' LEU . 4.6 tt -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.628 -0.508 . . . . 75.52 109.628 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -55.77 -59.64 4.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.779 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 3.8 mptp? -74.81 -22.74 58.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.585 0.707 . . . . 74.02 110.783 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.4 mp -70.51 -30.21 66.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.46 -0.791 . . . . 74.14 110.639 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.34 -52.39 2.03 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.678 -0.772 . . . . 64.21 112.937 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 11.0 pt-20 -52.78 -41.92 64.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.888 1.07 . . . . 75.2 113.888 -168.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 139' ' ' LEU . 0.8 OUTLIER -66.36 -18.8 65.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.627 0.603 . . . . 65.45 112.627 -172.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -122.49 -48.31 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.647 0.61 . . . . 60.5 112.647 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -96.11 -121.08 3.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.467 -0.873 . . . . 73.54 113.788 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.28 139.77 36.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.788 0.328 . . . . 71.21 111.031 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' HIS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 160' ' ' GLU . 9.3 p80 . . . . . 0 C--O 1.245 0.866 0 CA-C-N 115.986 -0.552 . . . . 72.34 110.673 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HG3' HG22 ' A' ' 121' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 108.685 -0.857 . . . . 72.24 108.685 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -87.45 31.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.432 -0.804 . . . . 52.43 111.861 -170.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.483 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 14.2 m -99.26 -5.32 30.05 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.822 0.344 . . . . 71.21 110.296 177.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.67 89.52 1.43 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.202 -0.999 . . . . 30.03 112.993 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.01 123.97 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.784 . . . . 72.53 108.882 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.438 ' HG3' ' CB ' ' A' ' 36' ' ' LYS . 23.8 ptt? -101.36 171.08 7.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.9 0.381 . . . . 62.43 110.932 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 132' ' ' SER . 7.7 p -115.8 129.19 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.275 -0.421 . . . . 62.41 111.154 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 10' ' ' ASP . 19.9 t70 -65.09 137.35 97.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 65.14 110.498 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.38 -36.39 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.146 2.564 . . . . 73.3 113.568 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 4.0 m-20 -68.79 -17.7 64.07 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.745 0.276 . . . . 74.31 111.745 -174.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 37' ' ' VAL . 91.0 t -58.95 -50.47 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 75.04 109.722 174.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.97 -35.62 80.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 74.3 110.689 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -64.07 -26.24 68.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.304 0.573 . . . . 62.12 110.77 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' HD13 ' A' ' 28' ' ' ILE . 50.9 m -84.38 -28.04 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 70.51 110.891 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.683 ' HE1' HG11 ' A' ' 84' ' ' VAL . 24.5 m-85 -71.13 -28.15 64.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.49 -0.323 . . . . 70.21 110.508 174.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.2 mm100 -57.85 -54.21 49.49 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.42 112.229 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -65.05 -6.6 9.18 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 54.51 111.65 -175.263 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 86' ' ' ASP . 9.6 tt -97.52 -56.36 2.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.565 -0.532 . . . . 51.12 109.565 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -71.06 -44.26 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.887 -0.597 . . . . 73.1 112.065 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 8.0 pt-20 -91.83 3.25 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 74.15 109.507 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.25 -117.17 1.82 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.352 -0.84 . . . . 61.25 111.108 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -111.26 -70.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.901 -0.32 . . . . 72.4 110.854 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.73 ' HG3' ' H ' ' A' ' 24' ' ' GLU . 17.8 pttp 175.83 -73.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.647 -0.706 . . . . 75.25 110.273 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 22.4 mt-10 -81.49 23.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 72.35 111.199 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -71.7 -169.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.977 -0.556 . . . . 75.33 109.985 178.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HA ' ' N ' ' A' ' 44' ' ' THR . 3.1 ptm180 -58.04 119.35 6.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.083 -0.34 . . . . 70.31 110.083 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -99.25 178.23 4.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.896 -0.721 . . . . 74.2 111.161 -176.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.77 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -111.32 132.25 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.607 -0.724 . . . . 71.42 112.203 -164.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 119.96 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.482 -0.933 . . . . 74.32 108.482 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.1 p90 -138.07 147.23 43.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.493 0.663 . . . . 75.21 112.54 -174.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HE3' ' HD3' ' A' ' 81' ' ' ARG . 4.8 mptt -133.55 176.82 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.076 -0.965 . . . . 73.12 109.865 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG12 ' CE1' ' A' ' 122' ' ' TYR . 28.1 mm -88.71 131.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.307 0.575 . . . . 73.34 111.424 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.487 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.0 t70 -125.42 115.43 20.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.25 -0.886 . . . . 74.45 108.961 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 67.5 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.458 0.474 . . . . 72.21 110.972 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -150.5 18.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.465 0.65 . . . . 71.44 110.287 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -142.97 155.43 44.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.748 -0.464 . . . . 75.42 109.748 174.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.742 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.1 p -85.3 134.74 26.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.309 -0.405 . . . . 61.22 110.632 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.0 pt -121.08 160.41 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 54.41 111.148 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 28' ' ' ILE . 95.6 t -84.4 120.85 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.922 -0.581 . . . . 54.53 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -91.62 -51.07 5.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.907 -0.588 . . . . 75.14 110.158 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.33 145.92 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 45.31 111.858 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -129.17 92.2 3.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.439 -0.8 . . . . 62.11 108.948 170.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 47' ' ' GLN . 7.6 p -146.85 141.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 75.0 110.742 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.536 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 5.1 t -99.99 159.76 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.569 . . . . 70.31 109.465 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.618 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 27.9 pt20 -67.88 -23.02 65.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.479 -0.489 . . . . 54.44 110.23 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.47 -46.04 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.188 -0.914 . . . . 74.22 111.396 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 43' ' ' VAL . 3.1 pt20 -91.78 -11.61 36.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 72.22 112.543 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 3.8 pp -84.99 -14.51 47.24 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.128 -0.629 . . . . 70.43 110.874 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.87 -17.14 2.8 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.296 -0.954 . . . . 60.24 113.097 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG12 HD11 ' A' ' 48' ' ' LEU . 24.1 mm -86.45 167.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.222 -0.659 . . . . 65.21 109.222 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.455 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -63.92 -43.24 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.946 0.35 . . . . 74.31 111.946 -177.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.82 -65.17 0.6 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.017 -1.087 . . . . 74.03 113.955 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 8.3 t70 -65.97 130.67 44.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 122.304 0.241 . . . . 62.21 110.728 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.15 -65.73 0.65 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.434 0.901 . . . . 63.31 113.434 -167.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.604 ' CB ' ' HA ' ' A' ' 89' ' ' PHE . 2.0 t80 -122.28 -16.96 7.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.176 -0.609 . . . . 74.45 112.334 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.55 -34.02 41.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.836 -0.802 . . . . 74.34 108.836 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 1.2 t70 -93.99 -25.55 17.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.938 -1.028 . . . . 54.42 109.829 170.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t 77.98 52.8 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.708 -1.133 . . . . 63.33 111.248 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -76.93 2.24 15.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.721 0.772 . . . . 70.35 109.027 168.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 3.2 tmmm? -44.89 -28.48 0.66 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.119 -1.4 . . . . 74.34 111.825 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.15 -23.9 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.143 0.423 . . . . 63.5 112.143 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.009 0.433 . . . . 75.1 111.543 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -61.7 -22.9 65.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 74.11 111.611 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.49 -34.9 78.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 63.23 111.032 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.95 -31.74 19.25 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.524 -0.47 . . . . 75.43 111.159 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 70' ' ' VAL . 24.5 m-85 -57.83 -44.57 86.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.87 0.322 . . . . 72.25 111.87 -177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.694 HG12 ' HG3' ' A' ' 149' ' ' MET . 28.2 m -58.44 -30.33 40.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.438 . . . . 63.41 111.568 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -81.57 -45.88 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 54.11 110.153 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.621 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 6.7 t0 -55.24 -46.18 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.935 -0.765 . . . . 63.21 108.935 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.3 t -56.74 -46.38 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.268 -0.878 . . . . 74.21 111.503 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -78.68 -29.89 45.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.01 -1.076 . . . . 65.31 110.983 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -70.12 -38.32 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.619 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -84.0 -13.52 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.882 -178.345 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -83.77 -37.35 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.034 -0.266 . . . . 72.02 111.118 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 68.5 -73.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.661 0.615 . . . . 64.43 112.661 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.76 -4.78 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.822 0.305 . . . . 74.32 111.822 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.9 mt 61.97 21.19 12.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.571 0.544 . . . . 72.4 111.752 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -96.14 30.02 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.897 0.379 . . . . 62.42 111.245 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -102.98 142.54 33.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 75.23 111.054 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.9 m -143.84 139.68 29.41 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.733 -1.21 . . . . 65.3 107.733 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 109' ' ' ILE . 13.3 ptp180 -162.94 175.86 10.75 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.307 -0.557 . . . . 52.44 111.245 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 126' ' ' ALA . 47.7 m-85 -124.47 129.1 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 75.31 110.042 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.39 136.62 43.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.401 -0.592 . . . . 51.44 109.401 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.683 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.8 t -123.31 130.32 74.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.531 -0.467 . . . . 65.13 111.364 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.82 143.49 45.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.582 -0.735 . . . . 75.01 109.447 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.697 ' HB2' HD21 ' A' ' 18' ' ' LEU . 11.8 t70 -99.66 100.16 11.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.884 -1.154 . . . . 75.24 107.884 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 105' ' ' ILE . 6.1 m-85 -99.55 141.56 32.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 61.1 111.782 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.97 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 4.0 ttpp -119.41 117.53 28.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.289 -0.869 . . . . 75.11 110.831 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 4.2 p90 -121.59 172.98 7.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.581 -0.736 . . . . 64.35 110.23 -174.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 21.7 p -132.41 132.22 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.079 -0.509 . . . . 63.15 110.481 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -129.22 142.81 50.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.249 -0.432 . . . . 74.01 109.902 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -60.38 117.22 4.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.401 . . . . 54.42 111.35 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.578 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 56.6 ttt180 -88.76 136.33 33.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 73.04 109.591 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.92 114.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.152 0.501 . . . . 71.24 111.097 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.88 13.78 81.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.908 -0.663 . . . . 73.11 112.584 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.72 -166.56 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.36 -0.237 . . . . 73.24 110.36 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.66 -142.77 10.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.977 -0.63 . . . . 60.21 112.579 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 25.8 p -88.44 118.29 27.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.885 0.374 . . . . 73.51 111.366 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 90' ' ' THR . 16.0 m -70.11 113.46 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 74.51 109.745 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HD2' ' A' ' 88' ' ' LYS . 28.1 ttpt -100.98 112.82 25.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.26 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.5 mtt -131.41 139.71 49.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 63.33 110.469 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.97 ' HB3' ' HB2' ' A' ' 88' ' ' LYS . 1.4 p30 -125.54 130.21 51.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 64.01 110.259 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.901 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -162.35 154.24 18.69 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.985 0.898 . . . . 73.25 112.555 177.001 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.66 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 3.7 tt -76.48 128.89 37.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 113.709 -1.587 . . . . 64.44 112.011 -174.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.758 HG22 ' HB2' ' A' ' 139' ' ' LEU . 24.6 pt -123.09 135.94 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.501 -0.772 . . . . 75.25 111.021 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HE1' HG21 ' A' ' 138' ' ' ILE . 41.3 m-85 -87.87 114.14 24.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.419 -0.809 . . . . 71.42 110.376 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.1 102.5 14.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.112 -0.699 . . . . 64.33 109.112 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -97.22 113.42 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 73.34 110.523 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.745 HD12 ' HG2' ' A' ' 81' ' ' ARG . 58.1 mt -86.28 109.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.548 -0.538 . . . . 74.43 109.548 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 119' ' ' LYS . 50.5 t -140.62 87.36 11.55 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.541 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.0 Cg_exo -65.39 137.29 50.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.877 2.384 . . . . 73.32 111.309 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.31 -55.72 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.163 -0.31 . . . . 73.31 110.163 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 44.63 3.35 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.782 -0.645 . . . . 75.41 112.199 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -102.89 176.6 5.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.746 0.308 . . . . 65.11 110.307 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 52.8 m -66.33 103.92 1.11 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.751 -0.659 . . . . 70.24 110.36 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 120' ' ' MET . 86.1 mt -53.44 -43.12 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 42.23 112.631 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -52.92 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.738 -0.385 . . . . 65.3 111.84 -174.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.658 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 22.1 ptmt -68.48 -34.43 75.91 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 74.54 110.169 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.653 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 36.2 ttpt -70.66 -32.36 69.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.213 0.53 . . . . 70.33 109.669 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.9 ttt -64.77 -34.0 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 74.4 109.904 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 1' ' ' MET . 58.0 t -63.58 -47.88 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.075 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.491 ' CE1' HG12 ' A' ' 32' ' ' ILE . 56.9 m-85 -62.8 -39.39 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.832 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.11 -32.43 69.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.516 . . . . 42.14 110.831 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 m -77.12 -18.22 58.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 71.35 110.334 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 32' ' ' ILE . 13.6 m -79.77 -30.29 40.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 75.23 110.9 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -52.96 -45.02 67.56 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.904 0.383 . . . . 74.33 110.993 176.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.27 92.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.907 -0.588 . . . . 65.24 110.819 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.52 47.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.942 -0.572 . . . . 73.12 111.546 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.445 HD11 HG11 ' A' ' 11' ' ' VAL . 3.5 tp -62.16 -32.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.165 0.507 . . . . 73.41 110.756 -175.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -72.87 -40.45 65.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.126 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.0 m -68.05 -40.38 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 73.01 110.772 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 7' ' ' VAL . 15.6 p -66.56 -26.92 67.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.614 -0.266 . . . . 74.45 111.23 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.559 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.9 mp -95.89 -15.41 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.862 -0.335 . . . . 73.13 111.129 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.4 26.62 74.38 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.99 -0.55 . . . . 63.02 112.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.5 m 68.07 -76.82 0.05 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.802 0.441 . . . . 75.12 110.846 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.31 78.45 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.08 -0.581 . . . . 74.24 112.748 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? 60.63 91.65 0.05 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.113 0.565 . . . . 73.14 111.148 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 104' ' ' ILE . 2.6 pp -134.68 169.06 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.759 -0.655 . . . . 73.1 110.829 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.758 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.0 mm? -117.9 146.66 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 74.25 108.962 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.04 131.93 31.39 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 72.03 109.828 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 105' ' ' ILE . 51.2 p90 -137.28 143.09 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.181 -0.463 . . . . 71.01 110.248 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -103.18 124.71 49.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 74.04 110.414 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.6 m -115.48 140.13 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.257 -0.429 . . . . 71.0 110.681 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.498 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.5 m -122.59 -33.97 3.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.92 -0.582 . . . . 75.2 109.944 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -107.81 154.76 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 53.12 110.222 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -71.88 -21.7 61.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.05 0.389 . . . . 55.31 112.05 -175.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 49.5 m -74.01 -17.56 60.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.954 0.406 . . . . 73.02 110.813 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.26 -22.84 28.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.908 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.694 ' HG3' HG12 ' A' ' 67' ' ' VAL . 22.9 ptp -96.16 14.43 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 73.53 110.199 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.5 m -81.1 167.08 20.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 71.11 110.538 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.409 ' CB ' ' HG2' ' A' ' 60' ' ' LYS . 2.5 p-80 -63.62 -29.87 71.05 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.082 0.771 . . . . 74.1 113.082 -172.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -65.92 -45.19 82.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.872 -0.331 . . . . 75.24 110.987 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 20.6 mm-40 -72.24 -30.82 65.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.801 0.297 . . . . 61.42 111.801 -176.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.97 -46.3 88.37 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.669 -0.493 . . . . 62.33 109.669 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.515 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.5 tt -62.91 -40.38 97.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 71.44 109.792 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -55.52 -55.13 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 71.01 111.422 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 42.1 mmtt -69.03 -39.31 79.29 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 60.52 110.248 -175.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.09 -15.05 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 72.11 110.442 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.69 -44.06 3.76 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.087 -0.577 . . . . 44.0 112.365 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.596 ' HB3' ' HB3' ' A' ' 165' ' ' HIS . 2.9 pp20? -70.95 -12.48 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.573 -0.369 . . . . 72.12 111.506 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -74.97 -17.88 60.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 72.43 111.455 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.544 ' HE1' ' HZ ' ' A' ' 89' ' ' PHE . 15.4 p90 -122.82 -24.63 4.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.618 -0.433 . . . . 74.14 111.516 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -131.89 -156.03 8.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.067 -1.063 . . . . 74.23 113.426 -173.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -84.49 146.19 27.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.92 0.391 . . . . 72.24 110.855 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' HIS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 160' ' ' GLU . 18.3 p80 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.277 -0.868 . . . . 65.04 110.14 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HA ' HG22 ' A' ' 121' ' ' VAL . 63.6 mtm . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 109.922 -0.399 . . . . 71.32 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -87.95 64.67 7.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.244 -1.021 . . . . 62.01 108.244 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -92.76 14.04 18.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.911 -1.04 . . . . 64.45 110.466 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.64 67.1 1.32 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.589 -1.005 . . . . 54.4 110.589 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 36' ' ' LYS . 98.4 t -56.9 127.25 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.218 0.532 . . . . 75.43 110.307 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 54.2 mtt -98.53 158.76 15.4 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.519 -0.764 . . . . 62.32 109.312 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.804 ' HB ' HG21 ' A' ' 11' ' ' VAL . 34.6 m -109.29 131.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 116.395 -0.366 . . . . 62.53 110.042 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' A' ' 38' ' ' ILE . 15.7 t70 -61.52 136.97 94.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.377 -0.601 . . . . 43.42 109.377 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -29.68 6.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.386 2.724 . . . . 72.53 114.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -82.13 -14.59 55.5 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.349 0.5 . . . . 71.11 112.349 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 ' HB ' ' A' ' 7' ' ' VAL . 33.1 m -59.45 -49.43 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.404 -0.518 . . . . 74.24 111.483 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.75 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 49.0 mt-30 -73.56 -26.54 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 72.3 110.377 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -65.35 -41.67 93.61 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.818 -0.628 . . . . 73.12 109.713 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -71.35 -27.97 63.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 72.13 111.424 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.75 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 24.2 m-85 -59.38 -57.99 10.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 73.33 109.83 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.27 -38.13 85.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 73.14 110.588 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 35.4 ttmt -45.4 -50.67 12.18 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.268 -0.878 . . . . 71.35 112.16 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.27 -34.8 18.79 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.974 -0.29 . . . . 74.32 111.183 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -69.38 -35.68 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.409 0.522 . . . . 51.4 112.409 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -11.17 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.503 -0.479 . . . . 73.34 110.868 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.74 -89.38 0.42 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 109.917 -1.273 . . . . 72.43 109.917 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 99.2 mtt180 -108.47 -73.11 0.7 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.103 -1.073 . . . . 70.33 108.103 164.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 20.4 pttp 139.71 -32.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.721 2.008 . . . . 65.32 109.392 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 18.0 mp0 -84.14 0.73 47.43 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.72 0.772 . . . . 71.03 109.11 172.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -106.63 126.89 52.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.75 -1.114 . . . . 74.54 109.573 -176.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 1.046 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 14.9 ttt180 68.25 116.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.286 0.991 . . . . 72.23 110.399 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -104.36 168.32 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.615 -0.434 . . . . 62.52 110.652 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 39' ' ' VAL . 10.6 tp -133.7 137.1 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.355 0.597 . . . . 62.52 111.422 -171.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.71 135.59 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 51.5 110.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB2' ' HB3' ' A' ' 82' ' ' TYR . 92.5 m-85 -116.46 136.62 52.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 74.33 110.717 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . 3.5 tptm -127.01 160.72 30.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.239 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.486 HD11 ' OG ' ' A' ' 125' ' ' SER . 18.7 mm -99.12 122.48 50.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.319 0.58 . . . . 72.02 110.641 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 11.5 t70 -124.08 141.28 52.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.595 -1.261 . . . . 52.13 107.595 173.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 59.26 -97.44 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 61.22 110.19 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -147.15 22.02 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.575 . . . . 74.24 110.306 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -136.98 159.4 41.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.537 -0.302 . . . . 71.45 110.295 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 32' ' ' ILE . 9.5 p -92.49 132.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.379 0.609 . . . . 74.24 110.909 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.722 HG22 ' HB2' ' A' ' 8' ' ' ASP . 50.8 pt -126.83 171.41 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 73.34 110.516 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 28' ' ' ILE . 2.2 p -84.77 119.34 33.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.001 -0.545 . . . . 72.4 109.825 174.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 42.7 tt0 -86.86 -51.4 6.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 73.34 110.498 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.89 151.55 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 71.04 111.28 -172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.57 74.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.75 -0.833 . . . . 73.43 108.75 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.16 122.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.789 . . . . 63.25 111.305 -173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.046 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 1.7 t -114.82 148.43 38.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.056 175.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.6 pt20 -82.16 -18.32 43.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.252 -0.431 . . . . 72.5 111.124 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -44.74 79.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.588 -0.278 . . . . 70.41 110.631 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.931 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.6 pt20 -78.2 -23.26 47.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.262 0.553 . . . . 73.13 109.801 175.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.637 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 48.6 tp -65.4 -21.01 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.203 -0.908 . . . . 73.45 110.63 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.94 7.63 25.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.383 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' THR . 13.1 mm -90.33 171.98 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 62.21 108.943 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.7 p -71.71 -68.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -171.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.34 -75.79 0.03 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.274 -1.441 . . . . 61.34 114.545 -176.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 m-20 -108.45 139.92 42.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.801 0.301 . . . . 61.22 110.636 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 59' ' ' SER . 24.9 t70 -57.43 -63.94 1.06 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.947 0.721 . . . . 75.1 112.947 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.534 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -104.53 -19.1 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.969 -0.693 . . . . 73.34 111.301 -173.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.55 ' HB2' ' HD2' ' A' ' 88' ' ' LYS . 35.7 t70 -84.04 -26.72 28.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.244 0.545 . . . . 73.25 110.737 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 33.6 t70 -124.75 11.03 8.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.774 0.797 . . . . 73.13 109.884 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p 49.06 68.57 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.935 -1.03 . . . . 72.31 112.718 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 50' ' ' ILE . 19.8 m -109.0 9.8 26.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.336 -0.847 . . . . 71.44 109.147 174.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -52.35 -25.62 10.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.457 -1.247 . . . . 72.45 112.528 -178.215 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.83 41.29 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.341 . . . . 65.11 111.316 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -49.94 70.09 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.0 110.618 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 85.7 m-85 -73.58 -23.44 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.281 0.562 . . . . 65.31 110.375 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 67' ' ' VAL . 20.4 t70 -63.56 -49.57 72.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.251 -0.886 . . . . 70.14 110.438 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.7 ptmt -78.57 -15.76 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 72.31 111.028 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 63' ' ' PHE . 4.3 m-30 -62.87 -29.46 70.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.182 -0.207 . . . . 74.43 111.502 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 64' ' ' ASP . 17.3 m -61.79 -24.36 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.087 0.47 . . . . 64.11 110.284 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.46 -57.94 2.94 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.956 -0.566 . . . . 65.12 110.307 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -47.57 -41.62 21.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.993 -1.003 . . . . 65.04 110.355 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -54.64 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.383 -0.826 . . . . 53.44 111.661 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 16.9 pttm -74.29 -21.59 59.67 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 119.12 -1.032 . . . . 75.13 111.826 -166.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -57.31 -52.05 66.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.005 0.431 . . . . 42.41 110.42 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 73' ' ' ARG . 7.6 ppt_? -86.14 -5.19 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.511 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.573 ' HB ' ' HA ' ' A' ' 71' ' ' LYS . 54.2 m -83.07 -35.69 25.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.535 -0.302 . . . . 54.12 111.09 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 69.54 -80.91 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.026 0.75 . . . . 74.14 113.026 170.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.52 10.65 37.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 74.35 110.844 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 85.3 mt 66.65 28.36 9.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.483 0.659 . . . . 63.21 110.308 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -83.77 12.03 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.305 -0.861 . . . . 71.34 110.24 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 74' ' ' THR . 32.5 t70 -77.01 140.95 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 74.41 110.909 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.09 134.08 10.27 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.833 -0.803 . . . . 71.24 108.833 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.585 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 7.0 ptt180 -164.54 166.02 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.79 -174.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.614 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t80 -111.28 127.89 55.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.355 -0.98 . . . . 74.55 108.355 173.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -126.83 143.37 51.28 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.773 -0.371 . . . . 73.21 110.926 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.25 122.53 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.971 0.415 . . . . 74.52 110.46 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 105' ' ' ILE . 36.8 m-85 -136.3 121.48 19.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.799 -0.637 . . . . 64.4 109.708 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.743 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 t70 -86.39 99.1 11.38 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.192 -1.41 . . . . 65.33 107.192 168.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 145.15 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.069 -0.514 . . . . 73.32 109.864 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.912 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 7.2 pttt -124.14 153.75 41.06 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.403 0.62 . . . . 74.02 111.069 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.69 ' CD2' ' HG ' ' A' ' 155' ' ' LEU . 14.9 p90 -146.74 -175.82 4.95 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.513 -1.221 . . . . 65.34 108.739 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 p -128.41 130.5 47.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.087 0.47 . . . . 74.05 111.308 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.08 123.44 40.83 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.802 -0.814 . . . . 72.23 108.802 173.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 p -80.7 113.48 18.93 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.305 -0.407 . . . . 75.12 110.041 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.887 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 23.0 mtt180 -65.08 137.23 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.308 -0.627 . . . . 75.41 109.308 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.1 112.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 110.082 -0.34 . . . . 74.14 110.082 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.27 79.02 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.921 -0.581 . . . . 63.32 113.163 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 93' ' ' ARG . . . -146.66 -163.24 1.71 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.177 0.489 . . . . 74.31 111.064 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.59 -154.82 18.81 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.09 -0.576 . . . . 74.34 113.37 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -107.39 140.86 39.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.403 . . . . 53.3 111.23 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.9 m -117.42 117.12 28.61 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.527 -0.545 . . . . 75.24 109.527 173.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -76.21 148.45 37.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.45 -0.5 . . . . 73.23 109.681 177.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.24 128.64 14.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.331 0.586 . . . . 73.3 109.455 172.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.912 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 2.2 p-10 -123.87 143.81 50.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.764 -1.107 . . . . 73.45 110.596 -171.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -165.34 135.08 3.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.888 0.375 . . . . 74.43 110.744 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.9 tt -59.67 121.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.258 -0.883 . . . . 71.0 110.874 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 85' ' ' PHE . 32.1 pt -106.31 137.55 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 73.32 110.339 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.585 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 70.5 m-85 -101.51 109.54 21.38 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.52 -0.764 . . . . 73.0 109.935 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 31.9 tp -92.73 104.32 16.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 52.23 110.62 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.82 ' HB3' ' HG2' ' A' ' 142' ' ' GLN . 25.9 tp60 -100.82 100.64 11.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.556 -0.747 . . . . 71.3 109.387 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.2 mt -89.04 104.64 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 61.14 110.388 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 73.5 m -125.4 83.3 61.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 75.34 111.158 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.667 ' HA ' ' HB2' ' A' ' 144' ' ' SER . 4.8 Cg_endo -51.57 125.19 16.09 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.224 2.616 . . . . 71.52 111.693 174.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.73 -51.6 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.32 109.917 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.28 65.63 3.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.447 -0.661 . . . . 42.11 111.447 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -137.17 177.74 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.243 -0.281 . . . . 74.52 110.243 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -68.38 95.21 0.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 43.21 110.847 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.428 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 73.3 mt -56.28 -36.01 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.699 -0.682 . . . . 70.21 112.315 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -58.1 -55.41 35.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.605 -0.271 . . . . 71.03 111.69 -176.275 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 118' ' ' LYS . 19.2 ptmt -83.91 -23.04 31.37 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.787 -0.365 . . . . 74.21 110.859 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 37.4 ttpt -67.35 -35.75 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 73.32 109.7 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.669 -0.696 . . . . 75.0 109.639 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 1' ' ' MET . 47.4 t -65.18 -41.92 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 71.14 110.075 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 22.6 m-85 -67.39 -33.91 76.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.21 111.167 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.09 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.228 0.537 . . . . 53.23 110.298 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.4 m -74.24 -16.61 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 75.4 110.676 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.486 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.5 m -68.8 -29.63 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.938 -0.393 . . . . 60.42 109.938 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB2' ' OE1' ' A' ' 108' ' ' GLN . . . -61.83 -42.85 99.55 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.979 -0.555 . . . . 64.32 110.058 174.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.59 94.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.658 -0.701 . . . . 70.14 110.535 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.18 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 62.44 111.038 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -35.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 61.24 111.157 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -70.11 -38.64 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 64.04 110.368 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.3 m -73.73 -38.27 64.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.883 0.373 . . . . 73.12 111.348 -176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.5 p -69.07 -52.23 30.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.312 -0.404 . . . . 32.13 111.699 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.48 -27.54 24.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.629 -0.428 . . . . 60.4 111.685 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.7 47.55 52.29 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 121.113 -0.565 . . . . 63.15 112.515 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -67.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.937 0.347 . . . . 41.2 111.937 -173.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.49 -30.43 8.3 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.85 -0.69 . . . . 72.24 112.606 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -122.75 104.32 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.447 0.641 . . . . 62.54 109.855 175.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.85 166.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.672 -0.695 . . . . 74.23 112.017 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.67 HD11 ' HE3' ' A' ' 161' ' ' LYS . 2.9 mm? -120.79 99.54 6.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.174 -0.676 . . . . 72.31 109.174 168.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -109.9 113.44 26.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.581 -0.736 . . . . 60.24 109.72 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 107' ' ' LEU . 8.5 p90 -113.74 123.97 51.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.168 0.508 . . . . 73.21 109.921 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.82 ' HG2' ' HB3' ' A' ' 108' ' ' GLN . 76.0 mt-30 -99.28 107.61 19.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 61.3 110.287 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 149' ' ' MET . 34.8 m -114.78 162.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 75.12 110.391 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 111' ' ' PRO . 6.1 p -134.77 6.52 3.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.1 -0.5 . . . . 73.33 110.757 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -132.71 154.94 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.836 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -31.73 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 73.5 111.831 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -76.32 -25.71 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.061 0.458 . . . . 64.43 109.967 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.35 -21.75 49.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 74.51 111.356 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 143' ' ' VAL . 27.1 ptt? -102.81 13.31 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.161 0.505 . . . . 64.55 110.391 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.2 m -75.31 156.37 35.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 74.01 110.811 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 9.3 p80 -55.82 -37.13 68.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.54 0.57 . . . . 73.22 112.54 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -60.76 -39.76 89.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 71.11 110.513 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.554 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 72.7 mm-40 -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.828 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.95 -43.08 91.2 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.373 -0.603 . . . . 62.31 109.373 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.69 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 7.6 tt -64.35 -47.13 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.119 -0.946 . . . . 73.15 109.683 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.72 -53.64 56.13 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.988 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' ' 153' ' ' GLU . 10.0 mptt -54.8 -48.72 72.39 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.474 0.654 . . . . 73.23 111.462 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.553 ' HG ' ' HG ' ' A' ' 139' ' ' LEU . 5.3 tt -71.21 -36.57 71.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.254 -0.885 . . . . 72.31 110.722 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -79.79 -39.28 17.69 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.155 -0.545 . . . . 52.24 113.878 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -30.7 67.82 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.679 0.622 . . . . 72.32 112.679 -171.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD11 ' A' ' 139' ' ' LEU . 3.2 pptp? -72.7 -21.84 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 73.4 111.012 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.02 -42.4 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 73.12 111.655 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -102.14 -106.95 3.03 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.532 -0.842 . . . . 71.53 113.426 -173.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -98.25 127.62 44.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.946 0.403 . . . . 71.53 111.284 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.805 -0.634 . . . . 71.31 109.365 178.848 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.864 -0.421 . . . . 71.51 109.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -68.14 86.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 75.24 110.843 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -124.89 17.49 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.176 0.512 . . . . 74.53 110.626 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.02 50.51 1.75 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 63.51 111.65 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 36' ' ' LYS . 57.6 t -60.6 123.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.708 -0.479 . . . . 72.34 109.708 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 93.6 mmm -100.63 169.43 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.23 0.538 . . . . 73.31 111.516 -173.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG12 ' CG1' ' A' ' 37' ' ' VAL . 30.2 m -117.85 120.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.382 -0.826 . . . . 75.31 108.972 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 143.17 87.02 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 120.896 -0.322 . . . . 75.32 110.471 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.3 -31.81 18.21 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.7 2.933 . . . . 74.53 113.835 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.23 -30.93 68.62 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.715 0.265 . . . . 65.24 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.73 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 72.44 110.352 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 52.9 mt-30 -64.17 -31.83 73.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 74.42 111.353 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -62.43 -43.37 98.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.898 0.38 . . . . 72.24 110.707 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 m -66.16 -36.84 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 23.23 110.192 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CD2' HD11 ' A' ' 133' ' ' LEU . 31.3 m-85 -63.62 -31.07 72.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.034 -0.53 . . . . 72.44 111.367 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 32.0 mm-40 -68.53 -55.19 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 72.23 110.64 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.643 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 18.6 ptmt -68.68 -21.49 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.575 -0.284 . . . . 72.03 111.628 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 23' ' ' LYS . 11.8 tp -65.66 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.428 -0.582 . . . . 75.44 109.428 169.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -68.37 -30.67 69.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.91 0.707 . . . . 65.23 112.91 -171.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 11.4 pt-20 -67.05 -34.1 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.944 0.72 . . . . 73.34 112.944 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.71 -8.72 0.21 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 119.222 -1.466 . . . . 73.1 114.621 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 3.6 mmp_? -109.37 -57.35 2.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.031 0.916 . . . . 64.34 111.619 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HD11 ' A' ' 18' ' ' LEU . 1.6 mtpm? 69.12 -73.45 0.09 Allowed 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.032 0.833 . . . . 73.13 111.268 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 88' ' ' LYS . 18.9 mp0 -98.38 21.25 11.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.79 0.329 . . . . 74.12 110.427 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 96.1 m-85 -134.69 138.68 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.122 -0.231 . . . . 73.41 110.883 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 17.3 mtp180 67.23 117.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.236 0.96 . . . . 64.12 110.675 -174.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 20.3 p90 -106.02 150.2 25.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.583 -178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.515 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.6 tp -108.74 123.19 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.368 0.604 . . . . 75.13 110.792 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.0 mm -115.02 133.88 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.292 -0.867 . . . . 72.41 109.175 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 37' ' ' VAL . 2.0 p90 -143.19 151.35 40.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.44 . . . . 54.12 111.641 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.3 mptm? -127.71 162.18 27.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 52.24 110.709 -177.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.486 HD13 ' HB ' ' A' ' 37' ' ' VAL . 32.8 mm -85.99 127.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 71.34 110.427 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.9 t70 -145.37 147.6 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.408 -0.59 . . . . 74.02 109.408 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 64.4 -81.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.448 0.467 . . . . 74.3 110.908 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -160.17 9.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.691 -0.686 . . . . 75.1 109.785 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.594 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -141.28 -178.17 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.42 109.662 -178.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.4 p -106.32 132.99 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.856 0.36 . . . . 71.32 110.925 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.594 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -119.24 164.79 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.326 -0.397 . . . . 55.41 110.429 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.6 134.54 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 62.02 111.39 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -102.76 -58.51 1.86 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 60.4 109.918 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.74 35.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 73.24 111.125 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -145.59 78.3 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.433 -0.803 . . . . 62.41 109.053 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.6 151.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.854 -0.612 . . . . 61.13 110.486 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -89.72 149.26 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.044 0.449 . . . . 63.22 110.999 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.795 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.9 pt20 -78.38 -18.8 54.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 72.45 110.969 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -69.15 -31.91 70.89 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.718 0.294 . . . . 73.11 110.906 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.4 pt20 -91.31 -18.32 24.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.304 0.573 . . . . 75.15 109.964 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.795 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 15.9 tp -65.64 -24.04 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.409 -0.814 . . . . 74.54 111.036 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.51 -3.17 6.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.818 -0.706 . . . . 64.14 111.99 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG22 ' H ' ' A' ' 51' ' ' THR . 8.4 mm -98.94 169.37 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.899 -0.778 . . . . 44.21 108.899 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.509 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.29 -55.58 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.434 0.531 . . . . 75.42 112.434 -177.093 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.34 -66.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.414 -1.374 . . . . 73.23 114.379 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -77.52 134.97 38.18 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.895 0.379 . . . . 72.03 111.719 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.591 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 17.6 t70 -56.14 -60.76 3.03 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.765 -0.652 . . . . 72.43 112.75 -174.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.754 ' HB2' ' HA ' ' A' ' 89' ' ' PHE . 25.0 t80 -101.86 -36.61 8.59 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.208 -0.597 . . . . 70.34 111.342 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.09 -27.42 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.224 0.535 . . . . 73.21 110.21 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.1 5.63 7.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 53.33 110.581 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m 53.04 33.03 13.97 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.912 -0.585 . . . . 75.31 111.682 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.531 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 70.5 m -68.22 -10.22 52.88 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.429 0.529 . . . . 43.53 112.429 -174.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.621 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -59.0 -22.68 61.03 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.44 -0.578 . . . . 75.33 109.44 172.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 151' ' ' HIS . . . -48.22 -22.05 0.6 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.687 -0.688 . . . . 65.4 111.877 173.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -51.71 -32.36 29.92 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.694 0.283 . . . . 70.31 111.181 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 67' ' ' VAL . 63.7 m-85 -67.96 -23.21 65.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.619 0.247 . . . . 73.32 111.392 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.49 -42.95 97.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.055 0.455 . . . . 64.41 110.499 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptmt -84.92 -16.32 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.556 . . . . 71.32 110.873 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.556 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 9.5 m-85 -80.39 -21.22 42.51 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.107 -0.237 . . . . 72.34 111.19 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' PHE . 89.7 t -58.73 -37.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.418 -0.586 . . . . 61.21 109.418 170.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -66.77 -36.72 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.384 -0.826 . . . . 73.34 110.37 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.88 -51.92 67.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.1 0.476 . . . . 72.12 110.079 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 66' ' ' PHE . 60.0 t -56.21 -59.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.188 -0.915 . . . . 63.42 111.307 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -24.83 67.52 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 74.32 112.318 -173.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.3 m -76.41 -41.68 46.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.003 -0.279 . . . . 64.42 110.999 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -86.55 -8.45 57.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.352 . . . . 74.5 111.721 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 p -98.13 -68.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.665 -0.414 . . . . 73.34 111.837 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.11 -69.88 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.952 0.782 . . . . 74.34 109.348 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -113.42 98.42 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.65 -1.241 . . . . 43.42 107.65 167.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 77' ' ' LEU . 1.9 pt? -49.28 100.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.781 0.8 . . . . 71.54 112.874 -169.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.8 m -120.22 -5.42 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.127 -0.942 . . . . 74.31 109.052 174.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.28 142.2 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.921 -1.036 . . . . 73.21 110.096 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.634 ' SG ' ' HE2' ' A' ' 118' ' ' LYS . 9.8 p -155.42 144.5 20.81 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.302 -0.629 . . . . 72.14 109.302 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -147.75 166.87 26.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.673 -0.239 . . . . 74.14 110.959 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.3 t80 -115.91 130.56 56.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 73.42 109.306 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.47 51.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.46 -0.336 . . . . 62.43 110.84 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 15' ' ' PHE . 92.5 t -133.52 134.52 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.529 -0.305 . . . . 72.14 110.714 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -139.35 140.85 37.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.03 110.097 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.638 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 7.4 t70 -100.94 99.62 10.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.133 -1.062 . . . . 72.15 108.133 169.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.57 132.68 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.696 -0.683 . . . . 63.52 111.835 -175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 31.7 ttmt -104.86 108.75 20.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 71.4 109.802 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.754 ' HA ' ' HB2' ' A' ' 55' ' ' TYR . 7.3 p90 -119.74 -172.6 2.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.666 -0.494 . . . . 64.2 109.666 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 23.3 p -106.87 134.01 50.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 64.21 110.652 175.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.24 112.76 24.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.384 -0.598 . . . . 74.11 109.384 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.646 ' HA ' HG22 ' A' ' 98' ' ' THR . 14.8 m -70.45 108.1 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.697 -0.683 . . . . 74.04 110.822 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -99.08 120.82 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 75.5 110.359 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.07 121.27 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 74.44 110.984 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.87 -2.46 76.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.015 -0.612 . . . . 33.14 111.974 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.87 -159.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.595 0.236 . . . . 72.44 110.404 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.13 166.8 12.73 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.927 -0.654 . . . . 75.12 111.659 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.4 p -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.757 0.313 . . . . 72.14 110.883 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -100.13 135.6 41.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.358 -0.383 . . . . 71.12 110.224 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.6 mtmt -71.25 130.97 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.414 0.626 . . . . 64.11 111.234 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.5 ttt -143.6 131.82 21.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.972 -1.013 . . . . 74.34 109.668 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.602 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.3 p30 -104.51 146.43 28.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.014 -0.539 . . . . 73.21 110.962 -177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -167.19 155.11 9.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.809 0.814 . . . . 72.43 112.51 166.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.686 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 3.7 tt -85.88 138.04 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.372 -1.286 . . . . 74.04 112.305 -171.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.796 HG22 ' HB2' ' A' ' 139' ' ' LEU . 38.2 pt -125.44 153.09 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 71.32 110.712 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.464 ' HB2' ' HG2' ' A' ' 140' ' ' GLN . 60.2 m-85 -103.46 110.65 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.138 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.7 102.52 15.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 73.34 109.872 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.524 HE21 ' HG2' ' A' ' 142' ' ' GLN . 28.8 tt0 -113.62 116.02 28.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 70.02 110.961 173.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -99.23 103.05 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.472 0.654 . . . . 63.21 110.031 171.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.4 p -122.7 96.78 45.08 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.526 -0.761 . . . . 44.03 110.297 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.902 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 35.5 Cg_exo -60.66 142.21 97.21 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.925 2.416 . . . . 65.1 112.379 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.43 -56.99 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 50.44 110.12 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.0 62.17 4.23 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.906 -0.588 . . . . 64.11 111.889 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.902 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -119.81 175.69 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.888 0.375 . . . . 63.51 110.89 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 m -65.51 103.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 74.04 110.583 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.89 -34.2 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.675 0.609 . . . . 74.23 111.815 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.5 mttm -52.36 -60.63 2.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.625 -0.261 . . . . 62.12 111.462 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.634 ' HE2' ' SG ' ' A' ' 80' ' ' CYS . 20.2 ptmt -83.5 -27.06 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 54.24 110.876 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.49 -37.46 86.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.807 -0.633 . . . . 74.31 110.97 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -35.17 61.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 73.32 110.241 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 117' ' ' LYS . 64.7 t -64.11 -38.16 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.886 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.421 ' HA ' ' OG ' ' A' ' 125' ' ' SER . 14.2 m-85 -66.4 -36.56 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.668 0.271 . . . . 73.31 110.824 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.85 68.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 63.22 110.342 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -80.34 -43.13 21.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.749 -0.66 . . . . 72.3 110.948 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.452 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -70.64 -19.39 62.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 64.24 111.36 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.171 0.51 . . . . 73.21 110.351 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.44 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 63.41 110.678 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.66 59.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.125 -0.488 . . . . 75.41 111.179 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.5 tp -61.94 -35.54 68.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.336 -0.393 . . . . 53.12 110.826 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -79.04 -25.74 43.2 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.009 -0.277 . . . . 72.43 111.095 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.3 m -79.7 -30.07 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.54 . . . . 73.14 110.145 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.6 m -72.33 -30.72 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 64.25 111.006 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 15' ' ' PHE . 10.2 mp -100.64 -25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.071 0.397 . . . . 71.12 112.071 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.69 -106.01 0.87 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.856 -0.688 . . . . 65.32 111.505 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 137' ' ' LYS . 20.2 m 62.2 -73.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.264 0.626 . . . . 71.55 112.569 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.39 -30.15 9.66 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.652 -0.579 . . . . 43.4 111.652 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 135' ' ' THR . 15.2 tppt? -87.51 71.28 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.583 -0.525 . . . . 63.11 109.583 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.552 HG22 HG23 ' A' ' 104' ' ' ILE . 2.4 pp -145.49 153.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.762 -0.653 . . . . 45.12 110.687 -177.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.796 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.2 mm? -121.85 104.37 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.106 0.479 . . . . 64.12 110.413 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.464 ' HG2' ' HB2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -97.85 106.5 18.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.126 -0.694 . . . . 72.25 109.126 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 105' ' ' ILE . 33.9 p90 -102.41 128.72 48.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.246 -0.434 . . . . 63.24 110.054 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.524 ' HG2' HE21 ' A' ' 108' ' ' GLN . 73.2 mt-30 -99.56 103.18 14.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.245 0.545 . . . . 73.53 110.702 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.756 HG23 HG22 ' A' ' 109' ' ' ILE . 30.7 m -117.47 171.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.417 -0.81 . . . . 74.43 109.943 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 111' ' ' PRO . 4.8 p -132.68 -41.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.477 0.547 . . . . 74.13 112.477 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -93.84 159.02 15.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 71.41 111.327 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' HB2' HG13 ' A' ' 67' ' ' VAL . 4.9 pt-20 -56.34 -34.34 66.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.595 -0.73 . . . . 75.4 111.637 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.1 m -68.95 -22.26 64.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.845 0.355 . . . . 64.31 110.905 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.602 ' CB ' ' HB ' ' A' ' 143' ' ' VAL . 52.7 mt-10 -87.37 -16.59 34.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.057 0.456 . . . . 73.4 111.139 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -105.51 13.06 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.468 0.652 . . . . 75.31 109.826 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.6 m -77.25 161.22 28.3 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.136 -0.938 . . . . 75.14 110.695 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 60' ' ' LYS . 3.3 p80 -63.44 -24.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.477 0.918 . . . . 72.32 113.477 -171.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -60.27 -60.11 4.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.468 0.544 . . . . 71.25 112.468 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 148' ' ' GLU . 10.5 pt-20 -77.85 -18.03 56.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.213 -0.595 . . . . 75.54 112.512 -170.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.4 -38.52 71.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.464 -0.569 . . . . 73.02 109.464 172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.625 HD11 ' HE2' ' A' ' 55' ' ' TYR . 6.3 tt -68.15 -49.93 57.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.4 -0.818 . . . . 73.43 109.47 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.673 ' O ' ' HG3' ' A' ' 160' ' ' GLU . 48.5 t30 -58.41 -58.13 9.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 75.34 111.338 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -20.81 65.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.436 0.532 . . . . 64.33 112.436 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.41 HD13 ' CG2' ' A' ' 105' ' ' ILE . 27.3 tp -82.69 -29.65 29.75 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.603 -0.439 . . . . 55.32 110.086 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.33 -35.24 5.31 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.6 -0.81 . . . . 51.55 115.029 -171.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.717 ' OE2' ' HG3' ' A' ' 161' ' ' LYS . 0.0 OUTLIER -50.25 -62.39 1.61 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.505 1.298 . . . . 41.13 114.505 -165.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.717 ' HG3' ' OE2' ' A' ' 160' ' ' GLU . 0.2 OUTLIER -64.28 -25.0 67.86 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.223 0.823 . . . . 64.45 113.223 -172.366 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.516 ' N ' ' HD2' ' A' ' 161' ' ' LYS . 11.0 m-85 -93.62 -25.4 17.53 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.571 -0.452 . . . . 70.0 111.156 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -113.22 -112.12 3.08 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.813 -0.708 . . . . 63.21 112.249 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.99 107.25 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.832 0.348 . . . . 74.23 110.679 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.906 -1.045 . . . . 74.11 110.3 179.004 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.533 -0.173 . . . . 72.24 110.533 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 1' ' ' MET . 3.8 m -67.72 -30.07 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 62.11 109.785 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -93.6 10.88 30.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.101 -0.954 . . . . 53.21 110.706 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.17 158.28 16.72 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.046 -0.597 . . . . 73.32 112.03 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.42 147.05 23.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.65 -0.5 . . . . 54.22 109.65 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.1 mmm -99.76 164.56 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.959 -0.386 . . . . 73.31 109.959 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 HG13 ' A' ' 37' ' ' VAL . 6.2 p -129.32 132.2 66.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.668 0.27 . . . . 64.53 110.946 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.28 127.22 89.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 73.24 109.877 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.78 -29.01 79.16 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.152 2.568 . . . . 74.23 113.872 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -74.34 -3.76 32.26 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.798 0.295 . . . . 75.23 111.798 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.634 HG13 ' HE1' ' A' ' 30' ' ' PHE . 19.3 t -59.01 -46.07 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.999 0.428 . . . . 61.02 109.944 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.2 -38.57 88.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 72.45 110.369 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 m -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 65.23 110.622 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 m -76.49 -30.26 57.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 64.4 111.392 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 133' ' ' LEU . 84.7 t80 -64.9 -44.4 89.74 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.878 0.371 . . . . 72.45 110.919 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 19' ' ' SER . 16.0 mm100 -61.46 -27.97 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.54 111.382 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 33.9 ttmt -56.52 -41.16 76.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.599 -0.728 . . . . 62.11 111.65 -174.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 27' ' ' TYR . 2.1 pt? -100.1 -28.16 13.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.295 -0.562 . . . . 75.12 110.598 175.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' GLN . 15.1 t -59.14 -45.07 91.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.203 -0.453 . . . . 52.35 112.141 -173.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.26 1.72 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.309 -0.556 . . . . 74.13 110.782 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.17 -135.03 7.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.74 -0.743 . . . . 62.41 112.111 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 62.5 mmt-85 -74.06 -6.68 49.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.519 0.192 . . . . 75.51 111.519 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.1 mppt? 69.61 -54.86 0.59 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.708 0.63 . . . . 73.11 110.801 -172.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 53' ' ' ASP . 43.2 mt-10 -80.13 14.91 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.497 0.665 . . . . 74.42 110.0 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' C ' ' HB ' ' A' ' 44' ' ' THR . 11.8 t80 -71.29 -179.4 2.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.344 -0.844 . . . . 63.25 108.772 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 29.6 ptt180 -57.91 121.09 9.7 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.255 -0.578 . . . . 75.12 111.106 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -98.9 179.21 4.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.725 -0.67 . . . . 71.31 111.379 -173.479 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' CD1' HG23 ' A' ' 39' ' ' VAL . 5.7 tp -107.21 130.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.222 -0.899 . . . . 71.53 112.195 -166.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.706 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 37.7 mm -112.02 130.12 66.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.448 -0.796 . . . . 74.22 109.573 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' HE2' HG23 ' A' ' 84' ' ' VAL . 92.2 m-85 -106.8 137.93 43.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 74.54 111.65 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -129.37 158.19 39.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 53.24 109.817 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 37' ' ' VAL . 33.3 mm -102.97 125.09 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.81 0.338 . . . . 70.51 110.704 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 20.5 t70 -122.87 127.0 48.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 73.24 109.621 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 66.06 -75.83 0.05 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.851 0.72 . . . . 65.31 111.005 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -163.8 19.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 72.13 110.845 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -139.8 156.22 46.86 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.916 -0.314 . . . . 61.21 110.319 178.153 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' HD13 ' A' ' 32' ' ' ILE . 7.1 p -87.75 133.82 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.903 0.382 . . . . 63.12 110.749 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.63 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.1 pt -122.84 156.25 28.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.102 0.477 . . . . 54.04 111.884 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 28' ' ' ILE . 1.5 p -84.24 109.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.397 -0.82 . . . . 71.33 109.841 172.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.87 -38.54 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.198 -0.456 . . . . 74.31 111.221 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -134.57 127.99 32.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.129 0.49 . . . . 52.42 111.802 -174.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.43 95.53 4.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.194 -0.912 . . . . 31.45 108.911 171.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.75 135.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.042 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.798 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 6.3 t -98.98 160.23 14.41 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.146 -0.687 . . . . 53.34 109.146 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HB2' HG13 ' A' ' 50' ' ' ILE . 27.0 pt20 -67.43 -26.75 66.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.225 0.536 . . . . 63.41 109.975 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.98 -52.04 64.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.464 -0.789 . . . . 63.44 111.35 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -75.09 -17.8 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 65.31 111.998 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.6 pp -91.5 -14.02 31.15 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.629 -0.428 . . . . 71.13 111.481 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.63 38.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.128 -1.034 . . . . 75.33 113.576 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.7 mm -122.1 159.58 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.164 -0.68 . . . . 60.14 109.164 177.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -65.99 -73.15 0.14 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.223 0.453 . . . . 75.44 112.223 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.02 -108.33 0.21 Allowed Glycine 0 CA--C 1.522 0.494 0 C-N-CA 119.403 -1.38 . . . . 73.25 114.474 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' OE2' ' A' ' 24' ' ' GLU . 3.2 m-20 -59.99 138.22 57.9 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.115 0.566 . . . . 71.31 112.413 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -49.35 -62.62 1.44 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 62.05 112.935 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.886 ' HD1' ' HE2' ' A' ' 60' ' ' LYS . 37.2 t80 -120.64 -23.4 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.857 -0.337 . . . . 75.02 110.56 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.93 -28.55 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.288 0.566 . . . . 65.02 110.086 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' SER . 17.7 t70 -118.72 -21.59 7.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.469 -0.787 . . . . 62.21 109.923 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 75.6 m 76.32 94.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.949 0.9 . . . . 42.13 111.123 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 50' ' ' ILE . 36.9 p -134.88 -19.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.524 -0.762 . . . . 42.04 112.144 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.886 ' HE2' ' HD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -51.79 -21.42 2.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.397 0.279 . . . . 70.23 111.533 -179.022 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HA ' ' NE2' ' A' ' 151' ' ' HIS . . . -42.79 -26.87 0.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.955 0.502 . . . . 73.45 112.15 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.45 -33.52 63.69 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.62 0.368 . . . . 72.42 111.685 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 67' ' ' VAL . 66.1 m-85 -64.44 -25.51 68.04 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.303 -0.248 . . . . 73.34 111.334 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.77 -37.04 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 73.52 111.182 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 18.4 ptmt -87.63 -30.56 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.479 -0.328 . . . . 64.22 110.919 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.18 -36.28 69.21 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.101 0.408 . . . . 70.52 112.101 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 31.2 m -60.08 -37.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.951 0.405 . . . . 74.02 110.58 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 1.9 mt-10 -79.0 -35.28 43.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 74.24 110.174 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 8.0 t70 -53.33 -52.75 58.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 72.22 109.634 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.86 -44.97 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.335 -0.848 . . . . 60.14 112.075 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.52 -20.74 60.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.523 -0.471 . . . . 72.0 112.022 -173.232 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 m -73.75 -44.3 56.61 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.961 -0.295 . . . . 55.23 111.102 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -84.16 -6.74 59.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.395 0.517 . . . . 74.31 112.395 -176.452 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.731 ' HB ' ' HA ' ' A' ' 78' ' ' THR . 6.4 p -88.41 -12.49 43.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.362 . . . . 74.25 110.403 174.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t70 64.84 -81.2 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.063 -0.971 . . . . 75.41 112.242 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -154.1 -34.13 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 72.04 110.229 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.66 -29.09 69.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.28 -0.418 . . . . 63.11 110.512 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.731 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 19.5 m 61.27 94.62 0.04 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 124.036 0.835 . . . . 72.34 112.556 173.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -80.1 146.56 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 72.41 108.911 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.707 ' SG ' ' HG3' ' A' ' 119' ' ' LYS . 29.5 m -91.1 151.62 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.87 0.367 . . . . 75.22 110.667 -174.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.843 ' HB2' HD12 ' A' ' 109' ' ' ILE . 2.4 mmp_? -126.23 145.94 50.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.12 -0.326 . . . . 74.42 110.12 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.664 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -128.95 144.63 51.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.406 -0.961 . . . . 64.43 108.406 172.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.62 163.06 21.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.658 0.266 . . . . 71.52 110.787 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.776 HG23 ' HE2' ' A' ' 30' ' ' PHE . 39.8 t -129.56 123.83 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 71.42 109.777 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -130.12 146.48 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.995 -0.372 . . . . 62.44 109.995 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.776 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 12.4 t70 -101.1 103.98 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.294 -0.632 . . . . 74.33 109.294 170.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 105' ' ' ILE . 66.0 m-85 -92.32 113.76 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 55.23 111.053 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -91.22 108.55 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 72.54 109.566 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.801 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 10.5 p90 -128.0 177.1 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.257 -0.428 . . . . 72.34 110.254 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 41.5 p -115.34 123.28 48.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.991 0.424 . . . . 71.04 110.077 177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 30.8 t -97.12 139.3 33.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.327 -0.397 . . . . 54.33 110.264 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 m -72.58 101.48 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 71.2 110.793 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -81.31 118.74 22.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.298 -0.63 . . . . 75.24 109.298 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 113.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 73.22 111.138 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.01 -7.11 62.43 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.851 -0.613 . . . . 74.42 112.04 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.78 -161.18 1.11 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.827 0.346 . . . . 71.32 110.438 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.78 -164.02 30.21 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.847 -0.692 . . . . 74.23 112.678 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.8 p -75.34 118.11 17.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.21 0.529 . . . . 52.42 111.065 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' THR . 20.0 m -85.99 123.77 31.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 55.05 110.199 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.58 ' HD3' HG22 ' A' ' 90' ' ' THR . 1.7 mppt? -72.93 110.19 7.05 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.167 0.508 . . . . 65.15 110.131 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.3 mtt -117.63 107.44 14.23 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.412 -0.813 . . . . 71.34 110.786 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -95.54 128.33 42.31 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.455 -0.793 . . . . 72.42 108.878 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 1.027 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -157.66 110.69 2.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.404 -0.518 . . . . 74.15 111.429 -176.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 18.8 tt -71.47 125.22 29.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 63.52 110.143 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 158' ' ' LEU . 20.7 pt -130.8 157.58 43.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.183 0.516 . . . . 71.23 111.931 -175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 138' ' ' ILE . 13.7 m-85 -95.97 128.87 43.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.068 -0.969 . . . . 73.5 111.369 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD21 HG13 ' A' ' 109' ' ' ILE . 6.5 tt -103.61 114.76 29.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.307 -0.861 . . . . 54.24 110.653 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' NE2' ' HD2' ' A' ' 82' ' ' TYR . 4.7 tp-100 -110.55 108.08 17.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.549 . . . . 73.13 110.253 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.843 HD12 ' HB2' ' A' ' 81' ' ' ARG . 53.5 mt -87.38 105.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 64.43 109.669 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 22.3 t -125.49 90.04 51.4 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.937 -0.574 . . . . 73.14 109.919 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 110' ' ' CYS . 28.4 Cg_endo -65.42 175.29 4.3 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.06 2.507 . . . . 71.34 112.488 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.63 -55.84 2.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.639 -0.504 . . . . 62.25 109.639 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.08 61.07 4.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.306 -0.718 . . . . 74.32 111.306 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.81 178.85 6.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.543 -0.328 . . . . 75.55 110.354 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 26.4 m -68.82 88.61 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.019 -0.537 . . . . 74.24 110.363 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 84.8 mt -58.04 -32.35 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 71.12 112.333 -174.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.38 -50.47 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.629 0.233 . . . . 64.12 111.629 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HE2' ' HE2' ' A' ' 122' ' ' TYR . 18.9 ptmt -86.02 -21.35 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.214 -0.595 . . . . 60.24 110.275 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HG3' ' SG ' ' A' ' 80' ' ' CYS . 19.4 ttpp -63.85 -36.25 83.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.448 -0.575 . . . . 65.52 109.448 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -64.22 -37.27 86.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.2 -0.909 . . . . 72.31 109.688 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.74 -48.23 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 73.32 110.131 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.537 ' HE2' ' HE2' ' A' ' 118' ' ' LYS . 65.9 m-85 -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.243 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.07 80.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 70.44 110.83 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -75.14 -33.36 61.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.905 -0.589 . . . . 75.42 110.241 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.4 m -68.14 -27.83 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 60.41 110.976 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -57.99 -34.45 70.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.264 -0.426 . . . . 51.41 110.748 177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.45 -43.64 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 74.34 110.611 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.46 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.329 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.058 -0.519 . . . . 63.1 111.005 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 126' ' ' ALA . 7.0 ptmt -73.35 -26.82 61.18 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.67 -0.412 . . . . 75.22 110.766 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 46.2 m -74.3 -30.79 62.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.064 0.459 . . . . 72.33 110.08 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.3 t -68.6 -47.54 66.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 73.22 111.098 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 11' ' ' VAL . 48.0 mt -91.8 -28.3 17.44 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.68 -0.408 . . . . 61.31 111.171 -176.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 -80.6 0.16 Allowed Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.936 -0.575 . . . . 64.41 112.944 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.476 HG21 HG23 ' A' ' 138' ' ' ILE . 9.0 m 58.67 -77.81 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.886 0.875 . . . . 72.44 112.305 -174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.54 -30.89 8.1 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.262 -0.494 . . . . 62.53 112.259 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.44 ' H ' HG22 ' A' ' 135' ' ' THR . 15.9 tppt? -102.39 70.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.234 -0.654 . . . . 74.23 109.234 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.635 HG21 ' CE1' ' A' ' 106' ' ' PHE . 7.6 pt -143.06 157.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.569 -0.741 . . . . 74.2 111.36 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.542 ' H ' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -118.73 98.41 6.21 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.15 -1.055 . . . . 74.22 108.15 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -90.43 105.95 18.16 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.36 -0.607 . . . . 70.34 109.36 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.49 ' HD1' HG13 ' A' ' 143' ' ' VAL . 51.8 p90 -104.13 148.34 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 74.44 111.125 -176.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -110.58 117.78 34.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 73.1 110.047 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' A' ' 141' ' ' PHE . 29.9 m -111.71 134.77 53.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.37 -0.377 . . . . 72.42 110.429 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.5 m -108.96 -3.26 17.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.89 0.376 . . . . 72.03 110.963 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -150.53 157.46 43.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.419 . . . . 71.12 110.532 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 6.4 pt-20 -64.28 -26.47 68.51 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 123.264 0.353 . . . . 52.42 111.179 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.2 t -67.51 -23.77 65.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.317 . . . . 70.15 110.553 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.625 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 42.8 mt-10 -83.96 -8.0 59.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 73.14 111.348 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.32 21.61 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.692 0.758 . . . . 74.33 109.815 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -81.62 170.73 15.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.014 -0.994 . . . . 54.02 110.964 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.476 ' NE2' ' HA ' ' A' ' 61' ' ' ALA . 62.4 m80 -41.97 -55.77 3.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.47 0.708 . . . . 74.34 112.283 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.63 -54.53 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 74.25 112.399 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.625 ' HG3' ' HA ' ' A' ' 148' ' ' GLU . 82.0 mm-40 -57.08 -43.48 82.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.047 0.758 . . . . 74.45 113.047 -168.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.52 -42.64 99.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.723 -0.391 . . . . 65.12 110.481 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.23 -36.29 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 74.1 110.013 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.2 -52.54 61.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 65.23 110.415 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -60.7 -52.31 65.66 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.613 0.721 . . . . 70.33 110.909 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.2 tp -71.24 -10.26 59.46 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.661 -1.154 . . . . 64.31 111.389 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.27 -48.2 2.88 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.636 -0.793 . . . . 71.23 112.867 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.67 -15.68 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.543 0.942 . . . . 51.25 113.543 -171.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.867 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -65.41 -30.33 71.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.953 0.406 . . . . 43.22 110.952 -177.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.867 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.3 m-85 -124.7 12.12 8.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.565 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.98 174.67 33.02 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.876 -0.678 . . . . 72.4 111.885 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.6 112.69 24.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.006 0.431 . . . . 72.11 110.311 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.1 p80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.448 -0.787 . . . . 74.35 110.211 -177.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB2' ' H ' ' A' ' 2' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.901 -0.407 . . . . 70.12 109.901 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 1' ' ' MET . 13.3 m -72.87 -19.84 61.21 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.313 0.578 . . . . 75.01 110.893 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -83.83 9.05 12.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.725 -0.671 . . . . 41.43 109.535 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 174.24 38.15 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.546 -0.752 . . . . 70.41 111.43 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.755 HG11 ' HB3' ' A' ' 125' ' ' SER . 98.0 t -119.34 150.21 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.981 -0.748 . . . . 52.55 108.981 174.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.646 ' HB2' ' HB2' ' A' ' 36' ' ' LYS . 47.2 mtt -98.13 156.2 16.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.242 -0.651 . . . . 71.21 109.242 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 37' ' ' VAL . 6.3 p -138.61 123.84 22.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.846 0.355 . . . . 72.34 111.118 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 128.47 93.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.514 -0.55 . . . . 71.24 109.514 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.89 -15.99 29.76 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.11 2.54 . . . . 70.02 113.628 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.88 -21.41 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.949 0.404 . . . . 74.21 110.741 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 129' ' ' ILE . 99.7 t -60.19 -44.74 96.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.813 -0.44 . . . . 74.31 109.813 174.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.0 mt-30 -67.2 -37.32 83.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 72.5 110.309 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -59.79 -35.4 74.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.243 0.544 . . . . 73.34 110.127 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.683 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . 49.5 m -69.69 -30.45 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.661 -0.699 . . . . 54.14 110.624 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HE1' HG11 ' A' ' 84' ' ' VAL . 45.5 m-85 -73.99 -36.01 64.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.086 0.469 . . . . 72.42 110.293 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 15.5 mm100 -67.68 -41.65 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 62.42 111.428 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.683 ' CD ' ' HA ' ' A' ' 14' ' ' SER . 16.0 ptmt -67.48 -23.59 65.5 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.876 0.369 . . . . 71.41 111.271 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 5.8 tt -78.58 -39.81 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.364 -0.606 . . . . 55.34 109.364 173.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -65.23 -31.14 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.396 -0.82 . . . . 71.44 111.209 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 54.8 mt-10 -57.58 -41.74 81.74 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.36 0.6 . . . . 62.15 110.104 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.18 -115.96 0.47 Allowed Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.215 -0.902 . . . . 74.44 112.961 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.0 mmt180 -113.43 -4.52 13.59 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.183 0.438 . . . . 75.44 112.183 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 10.0 mtmp? 75.15 -55.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.936 0.772 . . . . 71.22 109.746 -164.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 4.0 mp0 -71.18 2.18 4.97 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.357 0.599 . . . . 72.12 110.483 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.6 t80 -98.69 124.74 43.71 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.605 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 47.8 mtt180 71.27 160.71 0.22 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.921 0.763 . . . . 65.33 111.979 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -138.49 144.91 40.23 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.297 -0.865 . . . . 72.01 109.176 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.696 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.7 tp -110.14 123.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.437 0.637 . . . . 71.04 111.195 -172.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 mm -115.26 132.95 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.086 -0.961 . . . . 73.02 108.949 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.516 ' HA ' ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -139.83 152.19 46.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.226 0.536 . . . . 75.51 111.706 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.867 ' HE3' ' HB3' ' A' ' 81' ' ' ARG . 1.9 tptm -122.62 164.68 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.266 -0.879 . . . . 75.54 110.439 -171.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG11 ' A' ' 121' ' ' VAL . 28.4 mm -94.9 121.86 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.968 0.413 . . . . 64.55 110.501 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 30.4 t70 -112.47 116.81 30.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.893 -0.594 . . . . 61.22 109.407 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 64.11 -82.61 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.672 0.608 . . . . 71.24 110.614 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.41 20.19 0.84 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.75 0.309 . . . . 74.41 110.572 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.707 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -137.33 159.58 41.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.06 0.457 . . . . 70.41 111.07 177.496 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HB ' HG23 ' A' ' 7' ' ' VAL . 30.0 t -87.37 129.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 72.21 111.134 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.707 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.5 pt -127.19 149.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 62.11 110.0 175.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 6.2 p -67.11 131.8 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.723 0.297 . . . . 61.24 110.409 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' H ' ' HA ' ' A' ' 30' ' ' PHE . 31.2 tt0 -99.48 -47.42 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.134 -0.321 . . . . 75.44 110.134 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.53 142.15 22.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.758 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.64 80.52 1.81 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.18 0.514 . . . . 73.43 109.921 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -129.51 161.5 38.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 44.2 110.55 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 6.4 t -105.03 158.19 16.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.893 0.377 . . . . 72.12 110.515 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.402 ' HB2' HG13 ' A' ' 50' ' ' ILE . 8.1 pt20 -79.29 -24.2 43.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.316 -0.402 . . . . 72.21 110.488 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.79 -17.53 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.601 -0.272 . . . . 72.31 111.262 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 44' ' ' THR . 11.1 pt20 -86.93 -33.4 19.7 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.979 -0.288 . . . . 72.11 111.218 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 HG12 ' A' ' 50' ' ' ILE . 4.4 pp -81.15 -29.2 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.877 -0.329 . . . . 74.12 111.095 -174.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.57 45.81 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.216 -0.992 . . . . 71.32 113.03 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' ' 59' ' ' SER . 48.4 mm -116.56 153.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.189 -0.671 . . . . 74.02 109.189 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -66.29 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.915 0.709 . . . . 62.01 112.915 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.71 -86.31 0.08 OUTLIER Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.48 -0.867 . . . . 63.53 112.006 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 19.3 m-20 -73.52 121.9 21.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.705 -0.85 . . . . 64.12 108.705 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 59' ' ' SER . 18.0 t70 -48.83 -65.32 0.59 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.342 0.867 . . . . 64.5 113.342 -166.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.043 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 36.7 t80 -96.07 -28.82 14.43 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.472 -0.767 . . . . 73.41 111.168 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.68 -37.03 76.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.658 -0.247 . . . . 65.01 111.376 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 57.5 m-20 -85.06 17.93 2.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.544 0.211 . . . . 74.34 110.637 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.2 p 52.78 36.39 21.19 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.679 0.792 . . . . 71.31 111.117 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 3.9 m -90.91 12.22 20.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 62.24 110.254 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.28 10.43 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.853 -0.612 . . . . 53.32 111.395 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.61 -26.93 5.94 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.187 -0.461 . . . . 71.5 111.176 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -59.45 -52.68 64.57 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.52 -0.309 . . . . 65.22 110.3 175.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.434 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 36.0 m-85 -69.74 -28.27 65.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 71.25 110.408 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.2 t70 -68.17 -35.81 78.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.576 -0.738 . . . . 52.53 110.582 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 20.5 ptmt -86.73 -20.76 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.552 -0.294 . . . . 52.04 111.098 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -63.71 -28.91 70.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.559 0.219 . . . . 74.33 111.093 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.966 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 8.8 m -63.22 -27.46 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 70.31 110.258 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 17.4 mt-10 -81.51 -38.11 26.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.781 -0.451 . . . . 54.32 109.781 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.24 -43.44 64.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.033 -0.53 . . . . 62.21 110.231 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 149' ' ' MET . 96.3 t -65.73 -61.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.399 -0.819 . . . . 65.2 111.234 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 57.0 pttt -66.05 -20.82 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.524 0.565 . . . . 73.31 112.524 -172.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.9 t -65.45 -56.89 9.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.159 -0.216 . . . . 41.0 111.067 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -86.01 -17.47 35.17 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.457 0.539 . . . . 75.24 112.457 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.849 HG22 ' HB3' ' A' ' 79' ' ' ASP . 12.1 p -70.62 -25.27 62.95 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 74.53 111.914 -176.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 74' ' ' THR . 15.5 t70 68.88 -64.96 0.3 Allowed 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.775 0.672 . . . . 73.24 110.281 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -145.47 61.74 1.28 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.347 -0.612 . . . . 73.55 109.347 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt 53.08 33.94 16.1 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.528 -0.76 . . . . 74.1 111.953 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -82.63 -31.05 28.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.85 0.357 . . . . 64.41 110.837 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' HG22 ' A' ' 74' ' ' THR . 7.6 t70 -77.85 141.8 38.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.479 . . . . 61.34 110.305 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.75 136.19 19.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.784 -0.821 . . . . 65.33 108.784 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.867 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 4.7 ptt180 -156.32 177.13 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.186 0.517 . . . . 73.15 112.119 -171.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -110.42 128.49 55.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.062 -0.972 . . . . 71.24 110.157 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' CE1' ' A' ' 85' ' ' PHE . . . -128.7 129.84 46.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.992 -0.549 . . . . 73.42 109.628 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.71 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.1 t -122.7 122.11 65.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 120.873 0.368 . . . . 74.41 110.183 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 48.0 m-85 -128.62 134.37 48.55 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.653 -0.703 . . . . 73.23 109.388 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.4 t70 -94.23 98.3 10.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.683 -1.599 . . . . 74.33 106.683 164.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.702 ' CE1' ' HG ' ' A' ' 158' ' ' LEU . 4.6 p90 -98.81 128.01 44.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.444 0.64 . . . . 71.51 110.333 -171.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 33.4 ttmt -98.73 108.41 21.1 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.676 -0.693 . . . . 52.14 109.926 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 1.043 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.4 p90 -110.86 -175.41 2.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.27 -0.877 . . . . 65.44 109.506 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.5 p -112.74 121.86 45.96 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.2 0.524 . . . . 71.33 109.727 173.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.9 t -96.33 134.19 39.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.814 -0.63 . . . . 71.01 109.605 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 m -65.88 114.6 5.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.221 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.602 ' CG ' ' HB3' ' A' ' 96' ' ' ALA . 28.6 tpt180 -91.35 109.25 20.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.648 -0.706 . . . . 73.14 109.316 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.12 112.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 74.22 111.088 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 7.61 62.47 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.797 -0.638 . . . . 45.24 112.457 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . . . -148.86 -159.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.564 0.221 . . . . 71.31 110.714 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.68 175.52 22.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.88 -0.676 . . . . 74.13 112.615 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 p -53.1 129.57 31.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 70.42 111.838 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -115.37 123.43 48.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.211 -0.449 . . . . 63.3 110.247 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -71.82 129.65 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 72.4 110.4 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.6 tpp -141.1 138.97 33.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.622 -0.717 . . . . 70.23 110.529 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.7 p30 -109.81 149.9 29.15 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.64 -0.709 . . . . 72.44 109.822 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 1.043 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.81 134.91 3.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.509 . . . . 74.15 111.148 172.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 11.4 tt -75.98 124.2 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 63.13 110.88 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.517 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.7 pt -117.26 137.91 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.231 0.539 . . . . 73.51 111.421 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.521 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 33.4 m-85 -94.12 103.49 15.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.505 -0.771 . . . . 75.43 110.533 174.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 4.4 tt -90.9 101.86 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.638 -0.71 . . . . 63.03 109.272 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 142' ' ' GLN . 14.0 tp60 -89.02 102.8 15.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.953 -0.567 . . . . 75.04 110.072 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.755 HD12 ' HG3' ' A' ' 81' ' ' ARG . 59.8 mt -76.83 95.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.612 -0.885 . . . . 75.21 108.612 172.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.74 98.16 13.55 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.077 -0.51 . . . . 60.52 110.211 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.845 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 19.7 Cg_exo -66.21 116.32 3.96 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.451 2.1 . . . . 74.25 110.154 171.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.595 ' HA ' ' NZ ' ' A' ' 119' ' ' LYS . 22.7 t70 -64.73 -41.96 95.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.475 -0.33 . . . . 71.41 111.109 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.02 44.39 2.98 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.871 -0.68 . . . . 71.33 112.202 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.845 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -110.93 177.44 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.59 0.233 . . . . 62.13 111.125 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 40.4 m -46.99 105.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.209 0.943 . . . . 71.54 111.789 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.73 -38.59 72.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.651 0.611 . . . . 73.43 112.651 -170.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.795 0.331 . . . . 71.24 111.426 -174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -84.76 -23.02 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.894 -0.322 . . . . 73.51 111.144 -178.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 112' ' ' ASP . 1.5 tmtp? -71.68 -32.29 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.533 -0.543 . . . . 72.24 109.533 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.0 ttt -63.63 -36.85 85.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 55.32 110.182 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 32' ' ' ILE . 44.5 t -63.9 -48.7 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 72.23 110.159 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -63.26 -32.32 73.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.265 -0.425 . . . . 75.55 111.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.88 67.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.822 0.344 . . . . 72.05 110.67 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -83.18 -39.87 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.761 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.755 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.492 -0.322 . . . . 63.13 111.51 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.52 81.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.98 0.419 . . . . 74.31 110.422 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.51 -24.01 39.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 62.24 110.806 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.46 51.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.471 -0.331 . . . . 72.14 111.293 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.657 HD11 HG11 ' A' ' 11' ' ' VAL . 5.6 tp -63.4 -37.26 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.499 -0.319 . . . . 75.55 111.457 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.96 -35.53 69.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 74.21 110.493 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.0 m -72.63 -26.99 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.681 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.7 m -65.86 -52.33 51.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.223 -0.444 . . . . 64.32 110.112 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.521 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.7 mp -72.87 -26.3 61.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.295 -0.411 . . . . 74.14 111.677 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.19 46.0 63.21 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.228 -0.511 . . . . 71.22 112.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 m -85.62 -48.85 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 72.3 111.224 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.6 -30.56 4.5 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.006 -0.616 . . . . 44.34 114.058 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 59.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.688 0.756 . . . . 74.42 111.517 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -114.21 146.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.316 -0.856 . . . . 61.12 110.368 176.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.27 99.09 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.432 -0.951 . . . . 74.23 108.432 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 106' ' ' PHE . 57.2 tt0 -108.25 123.96 49.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.313 -0.858 . . . . 63.2 109.65 -176.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.691 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 32.2 p90 -130.93 139.2 50.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.783 0.325 . . . . 73.33 111.138 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 108' ' ' GLN . 96.6 mt-30 -102.3 113.05 26.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.524 . . . . 74.25 109.691 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 148' ' ' GLU . 31.5 m -120.52 149.88 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.263 -0.426 . . . . 75.32 111.083 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 50.2 m -110.23 -53.34 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.368 -0.378 . . . . 63.25 111.447 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -85.41 158.67 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.54 111.609 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.966 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 13.9 pt-20 -60.11 -33.59 72.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 51.33 111.364 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 m -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.197 0.523 . . . . 73.41 110.653 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 143' ' ' VAL . 9.0 mm-40 -71.15 -29.29 65.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 75.44 110.853 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.486 ' HB3' HG21 ' A' ' 143' ' ' VAL . 23.2 ptp -102.35 11.97 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.018 -0.537 . . . . 73.42 110.862 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 60.3 m -75.38 152.66 38.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.804 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 63' ' ' PHE . 28.9 p80 -57.24 -29.17 63.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.873 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -56.37 -50.51 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.882 0.372 . . . . 74.33 110.874 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 64.7 mm-40 -75.31 -30.56 60.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 73.43 111.211 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 30.3 mt -57.09 -43.77 82.5 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.015 -0.274 . . . . 72.32 110.304 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.1 tt -68.89 -44.39 73.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.238 -0.437 . . . . 61.25 109.832 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.01 -51.25 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.771 -0.65 . . . . 61.33 111.716 -176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 69.1 mmtt -64.23 -43.75 93.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.371 0.605 . . . . 62.32 109.77 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.702 ' HG ' ' CE1' ' A' ' 87' ' ' PHE . 3.6 mm? -66.71 -10.82 50.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.078 -0.965 . . . . 54.32 112.036 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.81 -55.01 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.707 -0.759 . . . . 54.22 112.124 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.554 ' HB2' ' HA ' ' A' ' 165' ' ' HIS . 8.2 pt-20 -64.85 -22.13 66.93 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.64 0.607 . . . . 71.33 112.64 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -56.48 -41.35 76.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.696 0.284 . . . . 73.32 110.758 -175.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.708 ' H ' ' HD3' ' A' ' 161' ' ' LYS . 39.8 m-85 -124.2 14.13 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 74.44 111.784 174.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -111.02 -132.8 6.17 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.614 -0.994 . . . . 64.1 110.614 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.63 105.45 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.973 -0.751 . . . . 72.42 108.973 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' HIS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 160' ' ' GLU . 57.4 t-80 . . . . . 0 N--CA 1.437 -1.096 0 CA-C-O 118.211 -0.9 . . . . 54.44 109.807 -172.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.185 -0.672 . . . . 72.03 109.185 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -78.87 73.16 5.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.19 0.519 . . . . 71.33 111.975 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -99.66 -12.57 19.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.872 -0.604 . . . . 70.44 110.175 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 69.59 0.95 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.636 -0.793 . . . . 52.34 111.691 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.55 123.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.886 0.374 . . . . 75.24 110.091 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.579 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 22.8 ptm -99.45 171.29 8.04 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.459 -0.571 . . . . 74.34 109.459 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.641 HG23 ' HB ' ' A' ' 37' ' ' VAL . 7.4 p -130.05 131.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 120.974 -0.29 . . . . 71.31 110.798 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -56.24 124.9 62.91 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.612 -0.514 . . . . 72.32 109.612 171.557 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' ASP . 67.3 Cg_exo -52.77 -26.41 30.34 Favored 'Trans proline' 0 N--CA 1.472 0.235 0 C-N-CA 123.526 2.817 . . . . 71.45 114.32 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB3' HG11 ' A' ' 39' ' ' VAL . 24.7 t70 -66.3 -24.44 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.658 0.266 . . . . 73.25 111.345 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' CE2' ' A' ' 15' ' ' PHE . 59.8 t -60.27 -48.75 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.641 -0.503 . . . . 74.22 109.641 175.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 51.1 mt-30 -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 73.2 110.765 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -60.19 -40.82 91.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 74.41 110.451 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.796 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 54.0 m -64.73 -39.72 94.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.941 -0.572 . . . . 74.21 110.64 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 35.7 m-85 -58.89 -41.07 86.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.06 0.457 . . . . 73.33 110.55 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.97 -54.51 29.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.267 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.796 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 52.1 pttt -67.32 -17.84 64.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.704 0.261 . . . . 63.01 111.704 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 27' ' ' TYR . 9.5 tt -76.19 -61.26 2.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 64.23 110.06 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.6 -34.22 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 72.52 110.918 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -85.55 -5.67 59.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 72.41 110.028 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.1 -102.18 0.74 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.049 -0.82 . . . . 51.33 111.049 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . 23.6 mmt180 -112.25 -71.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.623 -0.431 . . . . 75.44 110.072 174.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 8.7 mmtp -177.49 -77.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.456 1.102 . . . . 73.24 108.92 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 4.9 mp0 -80.16 16.57 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.015 0.436 . . . . 75.35 110.465 174.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.714 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -93.7 123.17 36.85 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.337 -0.616 . . . . 71.0 109.337 -178.227 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.758 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 41.92 114.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.974 1.422 . . . . 70.52 112.505 -167.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.787 ' HA ' HD12 ' A' ' 18' ' ' LEU . 10.2 p90 -107.85 166.46 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.431 -0.804 . . . . 53.32 110.717 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.72 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -109.91 120.0 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.479 0.657 . . . . 63.21 111.626 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 38.3 mm -115.39 116.54 52.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.342 -0.844 . . . . 74.11 109.265 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.72 ' HD1' HG13 ' A' ' 28' ' ' ILE . 11.5 p90 -134.93 157.99 45.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 73.43 111.698 -174.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.014 ' HG2' HH11 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -136.97 173.48 11.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 74.44 109.991 -176.572 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 37' ' ' VAL . 35.5 mm -105.17 118.23 52.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.014 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -134.3 151.56 51.32 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.359 -0.978 . . . . 52.15 108.359 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.23 -99.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.524 -0.547 . . . . 74.53 109.524 -171.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -146.13 20.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 60.1 110.404 176.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.597 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.78 171.82 13.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 71.15 111.617 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.641 ' HB ' HG23 ' A' ' 7' ' ' VAL . 40.6 t -81.98 129.08 38.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.5 -0.773 . . . . 75.42 110.384 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.597 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 44.2 pt -118.06 139.83 43.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 74.14 110.739 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 10' ' ' ASP . 3.3 p -86.51 129.04 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 73.33 109.889 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.38 -45.54 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.925 0.393 . . . . 75.33 110.839 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.83 135.81 40.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.937 0.399 . . . . 71.31 111.406 -176.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -143.92 74.43 1.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.301 -0.863 . . . . 73.21 109.497 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 29.1 m -132.48 166.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.76 . . . . 73.41 110.247 -176.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.758 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 12.1 t -98.63 150.25 21.95 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.749 0.309 . . . . 73.13 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -71.1 -20.45 62.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.047 0.451 . . . . 50.21 110.078 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 6.4 t70 -65.85 -27.95 68.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.721 . . . . 71.52 111.518 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 44' ' ' THR . 20.0 pt20 -89.86 -12.73 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.695 0.258 . . . . 75.21 111.695 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.8 -5.96 23.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.65 -0.42 . . . . 72.11 111.553 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.82 2.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.063 -1.065 . . . . 42.3 113.508 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 14.7 mm -82.16 164.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.428 -0.582 . . . . 63.22 109.428 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.433 ' H ' HG22 ' A' ' 50' ' ' ILE . 21.3 p -80.22 -50.58 10.05 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.305 0.854 . . . . 72.54 113.305 -171.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.96 -83.93 0.11 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 119.626 -1.273 . . . . 11.24 114.067 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 5.1 m-20 -70.79 132.25 45.04 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.703 0.26 . . . . 72.23 111.703 -172.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.22 -65.91 0.54 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.932 0.715 . . . . 74.32 112.932 -170.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.718 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 57.7 t80 -109.49 -18.86 13.43 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.764 -0.585 . . . . 74.55 110.336 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 28.4 t70 -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.906 -0.588 . . . . 61.51 110.243 177.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -113.68 3.81 15.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.275 0.559 . . . . 71.23 110.05 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m 66.0 38.18 5.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.424 -0.807 . . . . 72.02 112.234 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.473 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 49.7 m -79.46 -12.08 59.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.409 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 151' ' ' HIS . 12.5 pttm -55.4 -23.45 24.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.214 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.6 -29.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.007 -0.542 . . . . 42.32 111.121 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.91 -36.72 72.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.04 -0.527 . . . . 74.25 111.663 176.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 81.2 m-85 -65.89 -22.85 66.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.822 0.344 . . . . 54.21 111.407 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.643 ' HB2' ' CD2' ' A' ' 151' ' ' HIS . 8.6 t70 -69.95 -46.78 64.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.076 -0.511 . . . . 73.04 111.289 -174.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.64 61.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 72.04 111.661 -174.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 28.6 m-85 -84.65 -28.53 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.217 0.451 . . . . 61.23 112.217 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 64' ' ' ASP . 21.4 m -61.04 -23.9 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.957 0.408 . . . . 62.0 111.397 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 77.4 mm-40 -74.78 -57.57 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.392 . . . . 74.3 110.431 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.43 -32.86 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 64.22 110.404 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 66' ' ' PHE . 53.7 t -61.39 -53.46 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.608 -0.724 . . . . 62.54 110.985 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.701 ' HD3' ' HG2' ' A' ' 146' ' ' GLU . 18.6 pttm -79.76 -21.03 44.92 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.006 -1.078 . . . . 71.32 111.583 -171.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.0 m -75.55 -30.52 59.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.623 0.249 . . . . 75.32 111.214 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -85.91 -24.54 26.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.913 -0.315 . . . . 73.21 111.066 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 79' ' ' ASP . 53.9 p -94.78 2.52 55.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.646 -0.252 . . . . 61.53 111.335 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 74' ' ' THR . 22.2 t70 70.4 -64.99 0.34 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.856 0.723 . . . . 74.22 110.325 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -141.89 -77.84 0.26 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 72.42 109.633 175.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -150.13 34.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 71.02 110.634 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -75.48 -24.92 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 54.15 111.274 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.529 ' HB3' HG22 ' A' ' 74' ' ' THR . 31.6 t70 -108.89 144.58 36.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.045 -172.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.2 p -139.03 135.76 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.645 . . . . 54.4 110.034 -177.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 1.014 HH11 ' HG2' ' A' ' 31' ' ' LYS . 26.0 mtt180 -145.47 166.7 24.9 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.71 0.29 . . . . 73.53 111.511 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.64 ' HE2' ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -117.5 128.18 54.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.095 -0.502 . . . . 63.12 109.679 -177.464 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.48 150.75 47.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.255 -0.276 . . . . 64.05 110.255 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -134.62 130.73 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.931 0.396 . . . . 64.51 111.122 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -137.79 138.45 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.744 -0.662 . . . . 73.42 109.684 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.655 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.5 t70 -100.56 99.4 9.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.96 -1.126 . . . . 43.32 107.96 169.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -102.56 143.31 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.907 -0.405 . . . . 71.34 109.907 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 9.1 ptpp? -112.88 148.22 35.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.229 0.538 . . . . 63.3 109.967 175.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.5 p90 -143.81 172.95 12.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.421 -0.809 . . . . 63.01 109.91 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 99' ' ' SER . 19.6 p -134.16 122.72 23.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.085 -0.507 . . . . 75.04 110.831 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.1 m -99.08 131.26 45.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.17 -0.468 . . . . 64.35 110.007 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -74.96 109.17 8.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.312 0.577 . . . . 52.52 109.77 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 79.9 ttt180 -73.26 142.15 47.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.462 -0.79 . . . . 71.14 110.136 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.51 113.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 71.33 110.746 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.72 10.45 85.14 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.68 -0.691 . . . . 33.0 112.368 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -138.53 -166.51 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 55.15 111.041 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.6 -144.31 13.59 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.719 -0.753 . . . . 51.24 112.322 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -80.38 140.71 35.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.401 0.62 . . . . 52.32 112.068 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.1 m -118.55 114.95 23.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.495 -0.775 . . . . 65.2 109.16 171.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -82.26 126.4 32.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.021 0.438 . . . . 73.3 110.529 -178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -134.09 140.05 46.36 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.842 -0.799 . . . . 70.43 108.842 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 1.5 p30 -130.63 144.59 51.53 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.121 -0.325 . . . . 74.11 110.121 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 103' ' ' LYS . 8.9 tppt? -160.26 133.6 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.071 0.462 . . . . 65.23 111.161 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.655 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 tt -72.21 120.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.444 -0.798 . . . . 63.44 110.576 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 141' ' ' PHE . 32.9 pt -108.34 141.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.016 0.436 . . . . 74.33 110.619 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 138' ' ' ILE . 29.4 m-85 -95.73 107.08 19.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.936 -0.575 . . . . 61.52 110.181 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 141' ' ' PHE . 27.7 tp -95.32 102.49 14.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.587 -0.733 . . . . 55.2 110.269 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.467 ' OE1' ' HB2' ' A' ' 126' ' ' ALA . 29.1 tt0 -111.61 105.53 14.1 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.613 -0.514 . . . . 41.32 109.613 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.2 mt -89.48 103.57 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.84 -0.8 . . . . 74.42 108.84 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 76.7 m -146.04 99.14 4.32 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 65.1 111.536 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.847 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 32.2 Cg_exo -63.13 147.96 93.7 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.907 2.405 . . . . 71.15 111.217 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 38.7 t70 -87.01 -32.76 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.424 -0.584 . . . . 73.21 109.424 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.75 34.14 2.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.154 -0.778 . . . . 62.45 111.154 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.847 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.567 . . . . 73.45 110.31 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -57.29 102.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 54.2 110.707 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 75.6 mt -54.18 -39.56 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.235 0.828 . . . . 72.23 113.235 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -62.59 -54.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.745 -0.382 . . . . 75.15 111.355 -175.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 118' ' ' LYS . 19.7 ptmt -75.06 -28.47 60.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 70.14 110.294 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 34.2 ttpt -59.95 -43.67 94.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.238 0.542 . . . . 74.52 110.028 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.442 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 21.5 mmt -64.37 -32.03 73.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.733 . . . . 64.15 111.339 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 117' ' ' LYS . 26.1 t -73.35 -41.95 57.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.589 -0.278 . . . . 71.11 110.82 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 81' ' ' ARG . 30.7 m-85 -63.26 -35.69 81.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 70.43 111.094 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -28.02 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 50.23 110.835 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.1 m -84.56 -32.88 23.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 72.54 110.832 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 p -68.05 -20.59 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.674 0.274 . . . . 54.01 111.205 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -56.74 -43.89 81.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.0 0.429 . . . . 65.14 110.467 173.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.23 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 71.42 110.731 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.72 -47.52 75.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 73.33 110.999 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.84 -31.06 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.171 0.51 . . . . 72.52 110.245 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -71.63 -35.52 70.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 72.25 110.472 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.5 m -79.0 -36.37 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.317 -0.401 . . . . 73.34 111.246 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 p -70.82 -29.47 65.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.396 -0.365 . . . . 64.12 111.754 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 15' ' ' PHE . 9.3 mp -100.95 -25.68 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 62.12 111.018 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.6 -67.95 3.56 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.366 -0.694 . . . . 51.44 111.366 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.8 p 50.7 -97.04 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.94 0.896 . . . . 51.0 112.83 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.12 88.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.104 -0.57 . . . . 73.11 112.692 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.933 ' HE2' ' HA ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -143.6 38.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 70.11 109.759 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 106' ' ' PHE . 1.6 pp -102.45 162.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.81 -0.632 . . . . 74.22 111.703 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.87 99.19 7.11 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.626 -0.879 . . . . 61.52 108.626 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.86 128.11 39.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.612 -0.722 . . . . 75.22 109.282 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.529 ' CE2' HD13 ' A' ' 107' ' ' LEU . 13.6 p90 -124.35 118.88 27.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.314 0.578 . . . . 71.12 110.104 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 77.1 mt-30 -94.3 114.11 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.45 -0.795 . . . . 65.33 110.027 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.9 170.09 8.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.933 -0.576 . . . . 61.41 110.302 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 p -141.52 -27.01 0.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.899 0.38 . . . . 64.31 111.321 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.579 ' HB3' ' HG3' ' A' ' 148' ' ' GLU . 19.7 t70 -98.7 146.0 26.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.28 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.701 ' HG2' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.32 -17.23 64.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.646 0.61 . . . . 74.45 112.646 -176.019 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 71.1 m -81.55 -16.98 50.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 51.25 110.449 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 145' ' ' ASP . 43.1 mt-10 -81.4 -29.07 34.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.421 . . . . 74.22 110.344 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 146' ' ' GLU . 26.4 ptm -93.66 8.53 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 62.11 110.958 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.2 m -68.88 152.03 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.256 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 64' ' ' ASP . 7.0 p80 -64.81 -25.61 67.98 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.877 0.325 . . . . 70.41 111.877 -173.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -58.93 -42.46 89.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.08 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 60.4 mm-40 -80.96 -24.08 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.746 0.647 . . . . 70.04 112.746 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.65 -42.25 87.93 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.467 -0.493 . . . . 53.24 110.081 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 155' ' ' LEU . 7.1 tt -69.6 -39.08 77.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.9 -0.591 . . . . 72.54 109.582 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -62.51 -45.89 90.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.29 -0.414 . . . . 61.41 111.217 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 60.0 mmtt -66.43 -39.86 89.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.989 0.423 . . . . 73.12 111.434 -175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.0 tp -82.43 -31.73 29.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.28 0.562 . . . . 72.21 110.47 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.465 ' HA2' ' HA3' ' A' ' 163' ' ' GLY . . . -76.55 -28.49 59.42 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.366 -0.834 . . . . 23.3 113.764 -174.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 161' ' ' LYS . 6.8 pt-20 -60.64 -45.27 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.644 0.722 . . . . 53.2 111.274 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -85.96 -69.83 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.741 -0.384 . . . . 73.44 112.025 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -91.82 -4.72 54.54 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.515 0.561 . . . . 73.53 112.515 -170.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.465 ' HA3' ' HA2' ' A' ' 159' ' ' GLY . . . -82.83 -76.75 1.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.309 -0.948 . . . . 62.14 111.519 177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -160.74 141.07 11.33 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.893 -0.41 . . . . 74.21 109.893 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.105 -0.95 . . . . 72.22 109.954 176.543 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 121.119 0.485 . . . . 71.33 110.652 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -76.72 -24.02 53.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.897 -0.592 . . . . 73.13 110.789 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 71.93 1.3 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.488 -0.863 . . . . 73.23 111.993 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG11 ' OG ' ' A' ' 125' ' ' SER . 45.8 t -66.98 130.59 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.961 0.41 . . . . 65.42 111.119 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 ptp -120.01 170.29 9.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.795 -0.638 . . . . 51.55 109.516 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.21 139.14 36.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.869 -0.332 . . . . 74.11 111.24 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.612 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.18 128.63 93.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.205 -0.665 . . . . 45.31 109.205 170.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -45.21 -36.56 12.44 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.675 2.917 . . . . 43.55 114.499 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.79 -16.9 64.23 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.448 0.536 . . . . 65.5 112.448 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 129' ' ' ILE . 79.1 t -58.5 -53.26 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 72.22 110.119 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 43.5 mt-30 -64.38 -37.1 86.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.563 . . . . 73.4 110.862 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 m -59.1 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 72.14 110.805 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 m -67.53 -28.06 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 72.41 110.874 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.664 ' HE1' HG11 ' A' ' 84' ' ' VAL . 20.1 m-85 -77.05 -28.48 54.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 70.51 111.444 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 17.6 mm-40 -64.52 -54.37 33.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 74.52 110.917 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -14.79 61.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.143 -0.481 . . . . 65.13 112.043 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 26' ' ' ARG . 52.9 tp -87.93 -57.31 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.702 -0.481 . . . . 72.52 109.702 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.8 m -59.14 -53.57 56.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 70.4 111.884 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -103.72 12.83 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.905 0.383 . . . . 65.34 111.381 -174.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.63 -96.26 0.97 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.286 -0.959 . . . . 42.32 112.984 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.7 mmt180 -70.59 -20.73 62.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 74.41 112.601 -174.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 19.9 mtpp 70.82 -86.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.69 0.619 . . . . 72.11 111.993 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -108.72 17.87 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 73.52 110.882 -172.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -130.71 137.57 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.615 -0.434 . . . . 73.23 111.393 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.831 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 29.7 mtt180 66.26 115.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.039 -0.982 . . . . 71.1 110.52 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -111.99 178.67 4.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 72.3 111.955 -167.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.539 HG13 ' CD1' ' A' ' 30' ' ' PHE . 5.4 tp -119.58 126.08 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 71.22 110.94 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -115.45 108.37 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 73.22 109.324 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CD1' HG13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -134.87 130.57 36.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 64.34 111.598 -175.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HD3' ' A' ' 81' ' ' ARG . 1.2 mptm? -118.13 -179.55 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 71.04 110.184 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.02 127.86 50.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.327 -0.397 . . . . 61.44 110.12 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 38' ' ' ILE . 28.6 t70 -125.62 122.28 35.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.352 -0.61 . . . . 72.21 109.352 174.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 63.94 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 72.42 111.643 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -152.98 14.55 0.53 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.184 0.439 . . . . 41.54 112.184 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -143.95 160.04 41.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.084 -0.646 . . . . 60.13 111.045 176.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.612 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 22.8 t -77.5 130.4 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.619 -0.719 . . . . 75.41 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.546 HG22 ' HE3' ' A' ' 36' ' ' LYS . 43.9 pt -119.44 141.72 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 64.25 111.293 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -85.73 108.64 17.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.296 -0.411 . . . . 71.43 110.03 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' HD3' ' A' ' 31' ' ' LYS . 92.5 mt-10 -80.84 -42.51 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.48 -0.327 . . . . 74.13 110.37 178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 140.07 19.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.125 0.488 . . . . 73.34 112.019 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.32 75.22 0.93 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.477 -0.934 . . . . 72.21 108.477 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.06 144.01 31.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.266 -0.879 . . . . 74.32 111.636 -167.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.831 ' HB ' ' HG2' ' A' ' 26' ' ' ARG . 10.2 t -100.96 163.91 12.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.301 -0.629 . . . . 71.2 109.301 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 12.5 pt20 -83.97 -19.59 34.34 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.507 -0.477 . . . . 72.34 110.068 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.5 p30 -77.18 -15.66 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 75.43 111.236 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -91.34 -13.35 32.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.88 -0.328 . . . . 62.45 111.088 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -99.1 -15.17 19.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.724 -0.39 . . . . 71.13 111.478 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.2 -20.65 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.984 -1.103 . . . . 74.44 113.266 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 51' ' ' THR . 7.2 mm -86.74 178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.188 -0.671 . . . . 72.31 109.188 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.704 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -97.89 -34.73 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.463 0.542 . . . . 74.42 112.463 -176.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.58 -78.41 0.3 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 119.675 -1.25 . . . . 32.15 114.61 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 9.7 m-20 -64.06 126.86 29.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.869 0.322 . . . . 74.42 111.869 -170.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 14.1 t70 -53.58 -64.97 0.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.89 -0.595 . . . . 73.41 112.155 -176.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -100.91 -39.4 7.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.308 -0.557 . . . . 72.42 110.47 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 24.4 t70 -54.75 -42.24 71.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 73.44 110.831 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 58' ' ' SER . 5.0 t70 -96.69 -26.18 15.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.714 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 21.8 t 83.7 35.51 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.234 0.959 . . . . 54.33 110.315 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.444 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 75.0 m -81.46 1.31 33.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.787 -0.642 . . . . 74.31 111.252 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.609 ' HD2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.33 -24.8 57.41 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.292 0.237 . . . . 72.12 111.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.27 -31.11 42.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.395 -0.366 . . . . 55.41 111.038 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.16 79.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.386 . . . . 41.14 110.114 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 98.3 m-85 -65.38 -26.16 67.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.805 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -69.46 -38.03 77.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.854 -0.612 . . . . 73.22 110.823 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -86.92 -23.9 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.319 . . . . 73.04 111.333 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 m-30 -61.56 -34.68 75.99 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.842 0.312 . . . . 73.41 111.842 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 34.6 m -63.37 -32.49 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 73.54 111.021 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -69.97 -41.92 73.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.392 0.615 . . . . 64.34 110.131 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 17.0 t70 -60.25 -36.53 77.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.261 -0.882 . . . . 73.32 109.381 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.0 t -58.15 -46.28 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 115.487 -0.779 . . . . 53.13 111.212 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -80.21 -21.0 43.36 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 118.891 -1.124 . . . . 72.53 110.836 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -75.45 -48.31 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.329 -0.396 . . . . 74.22 110.96 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 52.3 ptt85 -78.96 -31.65 45.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.782 0.29 . . . . 74.52 111.782 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.773 HG21 ' HB2' ' A' ' 79' ' ' ASP . 2.8 m -101.15 15.33 29.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.794 0.33 . . . . 75.2 111.812 -174.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.14 -77.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.873 0.694 . . . . 74.24 112.873 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -103.91 -82.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.732 0.301 . . . . 61.55 110.266 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -161.89 23.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 72.33 108.768 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.73 29.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.899 -1.046 . . . . 72.11 111.899 -171.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.773 ' HB2' HG21 ' A' ' 74' ' ' THR . 17.2 t70 -98.4 139.78 33.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.51 -0.552 . . . . 75.22 109.51 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HA ' HG23 ' A' ' 109' ' ' ILE . 30.8 m -147.76 134.46 19.96 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.179 -1.045 . . . . 72.54 108.179 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.557 ' HD3' ' HE2' ' A' ' 31' ' ' LYS . 4.2 ptp180 -163.96 175.67 10.12 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.973 -0.38 . . . . 74.54 109.973 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.1 m-85 -112.94 128.17 56.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.779 -0.646 . . . . 74.11 109.334 166.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -131.75 130.22 41.63 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.925 -0.58 . . . . 71.45 109.698 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.664 HG11 ' HE1' ' A' ' 15' ' ' PHE . 68.6 t -124.86 122.37 63.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.274 0.559 . . . . 71.33 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CE2' ' HB1' ' A' ' 83' ' ' ALA . 53.4 m-85 -129.66 131.02 46.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.349 -0.841 . . . . 72.52 109.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.7 t70 -90.95 97.79 11.39 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.305 -1.739 . . . . 63.43 106.305 165.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -101.93 135.07 44.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.423 0.63 . . . . 71.42 110.491 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 31.2 ttmt -94.69 109.95 21.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.349 -0.841 . . . . 72.24 110.694 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' CE1' HD23 ' A' ' 158' ' ' LEU . 11.3 p90 -121.48 -171.64 2.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.16 -0.927 . . . . 61.34 109.658 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.556 ' HB ' HG23 ' A' ' 98' ' ' THR . 27.7 p -123.57 124.54 43.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.661 0.267 . . . . 74.21 110.72 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.1 t -96.86 140.18 31.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.967 -0.56 . . . . 51.11 109.708 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -82.02 101.6 10.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.99 -0.55 . . . . 41.14 110.334 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -72.26 120.45 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.579 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.82 116.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 75.03 109.958 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.31 -12.04 47.84 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.372 -0.691 . . . . 70.01 111.372 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.12 -160.64 1.09 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.081 -0.34 . . . . 73.03 110.081 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.55 -135.76 6.78 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.617 -0.801 . . . . 64.45 112.595 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.556 HG23 ' HB ' ' A' ' 90' ' ' THR . 52.5 m -70.77 134.85 47.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.827 0.346 . . . . 64.12 111.302 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -139.06 121.13 15.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 55.4 110.139 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 4.9 tmmm? -68.91 130.5 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.084 -176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.1 136.55 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 51.24 110.092 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.34 129.45 53.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.398 -0.364 . . . . 64.15 110.343 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.878 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -164.76 164.3 21.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.611 0.719 . . . . 41.41 112.918 177.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 6.7 tt -95.04 140.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.326 -1.307 . . . . 73.1 111.864 -168.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.9 pt -130.01 144.19 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 72.44 111.125 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.686 ' HE1' HG21 ' A' ' 138' ' ' ILE . 31.0 m-85 -93.11 112.5 24.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 52.45 110.462 172.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 7.1 tt -94.89 103.0 14.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.722 -0.473 . . . . 71.12 109.722 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.686 HE22 ' HB3' ' A' ' 122' ' ' TYR . 5.4 tp60 -103.21 115.01 29.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.75 -0.659 . . . . 71.41 109.306 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.479 HG12 ' HD3' ' A' ' 111' ' ' PRO . 8.9 tt -104.44 108.9 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.369 0.604 . . . . 53.44 110.059 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.8 t -122.86 85.6 50.15 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.419 -0.809 . . . . 74.03 110.791 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.798 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 31.5 Cg_exo -62.15 122.53 11.03 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.901 2.401 . . . . 63.54 111.059 174.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.82 -43.05 99.62 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.39 -0.524 . . . . 74.14 109.798 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.93 50.41 4.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.957 -0.64 . . . . 73.32 112.302 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -125.47 176.81 6.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.648 0.261 . . . . 44.35 110.841 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 m -62.88 101.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.804 -0.635 . . . . 62.33 110.88 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.38 -44.48 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -49.98 -64.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.833 0.349 . . . . 60.03 111.609 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.34 -24.11 59.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.168 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.602 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 35.9 ttpt -74.14 -39.76 63.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.964 0.411 . . . . 74.55 110.625 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.1 ttt -68.09 -21.75 64.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 72.23 109.936 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.26 -35.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 64.23 109.992 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB3' HE22 ' A' ' 108' ' ' GLN . 50.2 m-85 -66.97 -25.1 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 74.11 111.396 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.73 -36.7 73.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 71.2 109.967 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 m -70.59 -29.42 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 55.15 110.044 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.407 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 18.0 m -69.65 -36.12 75.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.559 -0.746 . . . . 61.11 111.478 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.02 -41.4 59.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.909 0.385 . . . . 74.21 111.625 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.84 71.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.544 . . . . 71.3 110.571 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -51.2 50.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 71.21 112.046 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 11' ' ' VAL . 5.7 tp -63.71 -37.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.716 -0.22 . . . . 72.15 111.463 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 27.6 ttpt -74.08 -42.99 59.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 61.34 110.224 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 55.3 m -65.18 -34.81 79.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.045 -0.525 . . . . 63.15 110.769 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -29.56 66.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.374 -0.376 . . . . 45.45 111.037 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.48 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.5 mp -92.42 -28.51 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.39 -0.524 . . . . 53.42 111.938 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 50.08 41.98 38.95 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 121.424 -0.417 . . . . 62.12 113.114 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.498 HG21 HG23 ' A' ' 138' ' ' ILE . 2.9 m -68.02 -44.45 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 70.22 111.527 -175.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.12 -31.54 2.05 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 116.23 -0.441 . . . . 43.3 113.402 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -128.25 95.77 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.99 0.424 . . . . 71.15 110.083 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.686 HG21 ' HE1' ' A' ' 106' ' ' PHE . 1.6 pp -149.16 159.35 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.832 -0.622 . . . . 74.13 111.147 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 139' ' ' LEU . 4.1 mm? -110.19 99.9 8.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.095 -0.706 . . . . 72.23 109.095 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -104.52 100.82 10.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.888 -0.596 . . . . 71.13 109.768 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.559 ' HD2' HG13 ' A' ' 143' ' ' VAL . 36.0 p90 -100.62 152.44 20.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.955 -0.566 . . . . 73.24 110.95 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -112.99 105.79 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.198 0.523 . . . . 62.3 110.302 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 141' ' ' PHE . 26.9 m -105.28 165.27 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.594 -0.73 . . . . 63.02 110.111 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 56.7 p -136.3 -27.12 1.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.833 0.349 . . . . 71.43 111.24 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.85 154.66 23.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.792 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.787 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 9.6 pt-20 -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 74.13 111.612 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.2 t -70.15 -24.84 63.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.345 -0.389 . . . . 54.22 110.402 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.93 -24.94 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 55.13 110.656 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.501 ' HB2' HD11 ' A' ' 107' ' ' LEU . 25.9 ptm -103.55 19.33 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.975 0.416 . . . . 70.12 110.803 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 38.8 m -80.21 162.85 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.666 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.604 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 32.1 p80 -60.18 -38.68 83.96 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.63 0.604 . . . . 65.21 112.63 -172.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -61.84 -50.34 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.735 0.302 . . . . 73.41 110.493 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 6.1 mm-40 -62.75 -40.76 98.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.172 -0.467 . . . . 62.44 111.417 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 150' ' ' SER . 30.0 mt -56.61 -48.31 77.73 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.976 -0.29 . . . . 72.11 110.58 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 8.1 tt -60.84 -45.02 96.14 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.512 -0.551 . . . . 72.44 109.512 177.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -58.8 -46.38 87.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.316 -0.856 . . . . 65.13 111.323 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 66.8 mmtt -63.85 -48.73 75.58 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.04 0.448 . . . . 64.45 110.6 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 89' ' ' PHE . 18.1 tp -74.54 -11.32 60.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.655 -175.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -91.81 -46.31 3.71 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.57 -0.824 . . . . 72.52 111.963 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -65.58 -29.25 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.758 0.279 . . . . 70.3 111.288 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.516 ' HD2' ' CD2' ' A' ' 162' ' ' TYR . 3.4 pptp? -49.07 -49.02 43.55 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.552 0.533 . . . . 63.31 112.311 -175.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.516 ' CD2' ' HD2' ' A' ' 161' ' ' LYS . 17.5 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.396 . . . . 64.32 111.103 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.0 0.429 . . . . 73.11 110.125 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -99.38 1.53 44.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.54 . . . . 61.12 110.152 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.09 70.32 1.14 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.316 -1.114 . . . . 20.43 110.316 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.56 130.09 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.231 0.539 . . . . 74.41 111.33 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 86.1 mtp -99.24 158.11 15.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.614 -0.721 . . . . 72.34 109.567 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 132' ' ' SER . 3.5 p -111.52 112.74 41.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.036 0.446 . . . . 63.43 110.435 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.5 t70 -69.68 131.0 89.87 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.773 -0.454 . . . . 72.41 109.773 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -56.53 -26.09 62.12 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 123.274 2.649 . . . . 65.22 113.717 -173.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.69 -24.6 67.62 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.056 0.391 . . . . 74.03 112.056 -175.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' ASP . 17.8 m -68.6 -42.09 83.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.449 -0.575 . . . . 73.14 109.449 174.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -69.66 -35.92 75.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.542 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 m -59.44 -41.62 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.366 0.603 . . . . 64.14 110.308 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' HD13 ' A' ' 28' ' ' ILE . 38.2 m -69.35 -34.13 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.625 -0.716 . . . . 64.03 110.858 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.638 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 19.7 m-85 -63.9 -26.15 68.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 74.21 111.398 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 15.8 mm100 -84.55 -42.12 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 75.14 111.403 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -59.24 -31.57 69.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.942 0.719 . . . . 72.24 112.942 -170.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.4 pt? -89.91 -36.15 15.19 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.413 -0.515 . . . . 70.2 110.618 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -67.21 -40.61 86.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 74.22 111.002 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.1 pt-20 -91.7 -3.26 56.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.322 . . . . 75.33 111.089 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.95 -114.63 0.72 Allowed Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.005 -0.838 . . . . 72.31 111.005 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -91.87 -68.87 0.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.611 -0.885 . . . . 61.52 108.611 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? 179.17 -70.76 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.321 -0.854 . . . . 73.44 109.883 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 40.5 mp0 -85.28 13.09 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.018 -0.537 . . . . 74.13 111.957 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -88.82 119.94 29.77 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.211 -0.596 . . . . 73.34 111.178 -174.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 1.011 ' H ' ' HB ' ' A' ' 44' ' ' THR . 65.3 mtt85 55.58 116.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.395 -1.275 . . . . 65.12 112.515 -175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 61.2 m-85 -100.46 173.47 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 75.22 110.539 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.64 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.0 tp -116.91 121.14 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.544 0.687 . . . . 73.14 111.342 -176.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.47 119.01 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.32 -0.855 . . . . 75.51 108.842 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HD1' HG13 ' A' ' 28' ' ' ILE . 3.1 p90 -134.47 151.21 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.348 0.594 . . . . 74.34 111.789 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HG3' ' A' ' 40' ' ' GLU . 55.9 mtpt -139.36 -172.18 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.753 -0.658 . . . . 63.43 110.628 -175.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.554 HD13 ' HA ' ' A' ' 37' ' ' VAL . 25.0 mm -110.1 126.25 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.176 0.512 . . . . 71.22 111.153 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -134.56 151.05 50.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.268 -1.012 . . . . 63.25 108.268 172.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 57.55 -95.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.553 0.533 . . . . 63.51 110.212 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -150.46 20.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.3 -0.409 . . . . 61.25 110.709 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.73 165.92 26.07 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.503 -0.479 . . . . 74.01 111.177 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.554 ' HA ' HD13 ' A' ' 32' ' ' ILE . 36.6 t -74.99 126.88 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.992 -0.549 . . . . 74.41 110.764 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 ' HE3' ' A' ' 36' ' ' LYS . 24.1 pt -121.29 153.75 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.633 0.254 . . . . 54.34 110.371 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.1 126.87 40.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.24 0.543 . . . . 73.54 110.424 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.712 ' HG3' ' HD3' ' A' ' 31' ' ' LYS . 11.6 mm-40 -96.57 -50.6 4.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.42 110.808 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.43 149.14 33.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 73.24 111.22 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -137.36 83.66 2.01 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.211 -0.904 . . . . 63.24 108.803 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.4 147.62 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.797 -0.638 . . . . 73.13 110.578 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 1.011 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 4.5 t -99.2 156.65 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.014 -0.365 . . . . 64.43 110.014 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 3.6 pt20 -81.5 -21.49 38.62 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.017 0.437 . . . . 74.34 110.223 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -16.72 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 74.13 110.891 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 44' ' ' THR . 18.9 pt20 -91.15 -19.77 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.924 -0.31 . . . . 74.2 111.192 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -93.68 -12.31 29.59 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.878 -0.329 . . . . 71.22 111.425 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.86 23.0 0.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 119.932 -1.127 . . . . 54.43 113.738 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.9 mm -103.55 155.82 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.618 -0.512 . . . . 53.24 109.618 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 1.6 m -52.97 -60.44 3.28 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.769 0.655 . . . . 74.32 112.769 -173.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.19 -88.98 0.11 Allowed Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.366 -0.921 . . . . 73.21 113.005 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 12.5 t70 -67.53 144.12 55.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.443 0.163 . . . . 72.01 111.031 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 8.0 t70 -56.65 -63.68 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.438 0.533 . . . . 54.13 112.438 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 86.0 t80 -100.52 -37.52 8.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.454 -0.499 . . . . 74.24 111.415 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.84 -15.34 62.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 73.33 110.108 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 17.9 m-20 -120.17 -1.92 10.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.526 -0.761 . . . . 54.0 110.85 171.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.1 m 60.84 32.17 20.08 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.452 0.47 . . . . 73.54 112.187 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 m -74.21 -15.26 61.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.625 0.602 . . . . 70.14 112.625 -174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.613 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -56.43 -22.92 35.1 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 110.244 -0.28 . . . . 72.33 110.244 175.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.69 -27.64 5.02 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.357 -0.383 . . . . 60.1 111.352 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -62.06 -27.57 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.433 . . . . 72.42 110.93 176.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.755 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 28.2 m-85 -72.17 -19.82 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.305 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.1 t70 -58.27 -31.55 67.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 63.31 110.678 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -86.82 -22.31 25.92 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.781 -0.367 . . . . 72.24 110.322 175.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 63' ' ' PHE . 22.3 m-85 -71.37 -30.6 66.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 73.32 111.571 -177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.0 m -63.75 -31.19 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 61.42 110.077 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.38 -41.53 24.47 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.317 -0.623 . . . . 51.51 109.317 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 9.7 t70 -50.56 -35.88 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.093 -0.958 . . . . 74.01 109.881 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 66' ' ' PHE . 75.9 t -65.0 -57.39 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.772 -0.649 . . . . 72.02 111.469 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -84.45 -20.71 31.31 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 119.548 -0.861 . . . . 72.41 112.748 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -70.61 -61.27 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.497 0.189 . . . . 71.1 111.264 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 7.9 ppt_? -80.53 -3.08 48.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.218 0.451 . . . . 53.31 112.218 -172.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 79' ' ' ASP . 68.4 p -101.83 -5.99 24.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.156 -0.312 . . . . 73.23 110.156 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 t70 67.99 -59.88 0.42 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.199 -0.91 . . . . 64.32 111.856 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -145.04 51.49 1.22 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 71.0 110.89 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt 59.76 33.82 21.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.858 -0.61 . . . . 70.53 112.125 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -75.16 -40.68 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 62.52 111.146 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 74' ' ' THR . 28.1 t70 -95.16 141.87 28.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.41 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.01 161.21 35.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.099 -0.501 . . . . 55.04 109.731 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.03 166.44 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.741 0.305 . . . . 75.21 111.211 -175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.595 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.33 127.53 55.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.026 -1.102 . . . . 64.11 108.026 176.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -130.09 141.23 50.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.9 0.381 . . . . 74.42 111.105 -174.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.64 ' HB ' HG23 ' A' ' 28' ' ' ILE . 23.4 t -130.37 128.1 63.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.087 -0.506 . . . . 53.44 111.419 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.411 ' O ' HG12 ' A' ' 105' ' ' ILE . 27.9 m-85 -139.02 131.4 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 75.41 109.798 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -86.68 100.84 12.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.895 -0.78 . . . . 43.03 108.895 169.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HZ ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 m-30 -93.77 134.51 36.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.613 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 1.8 ttmp? -107.54 127.74 53.89 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 73.33 109.999 174.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.673 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 8.8 p90 -143.64 178.45 7.78 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.696 -0.684 . . . . 74.12 109.27 -176.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 75.2 p -119.71 121.2 38.69 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.768 -0.373 . . . . 63.34 110.211 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 50.2 t -102.22 131.36 48.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.217 -0.66 . . . . 73.43 109.217 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m -63.66 116.06 5.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.876 0.37 . . . . 64.42 110.47 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -77.29 123.56 26.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.226 -0.657 . . . . 62.03 109.226 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.47 112.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 62.23 110.599 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 4.03 65.35 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 62.53 112.681 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.77 -160.8 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.83 0.315 . . . . 74.1 110.783 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -159.7 35.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.972 -0.633 . . . . 45.21 112.69 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 2.0 p -81.43 136.52 35.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 74.31 111.706 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -105.86 116.04 31.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 75.23 110.084 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.6 116.74 22.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.211 -0.45 . . . . 70.45 109.877 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.8 ttt -131.35 135.41 47.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.398 . . . . 75.31 110.819 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.9 p30 -107.53 141.8 38.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.597 -0.52 . . . . 65.42 109.597 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.593 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -165.04 148.55 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.435 0.636 . . . . 75.32 111.775 176.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.593 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -75.3 132.47 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.719 -1.128 . . . . 74.24 111.409 -177.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 33.0 pt -113.69 136.92 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.722 175.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.553 ' HE2' HG21 ' A' ' 138' ' ' ILE . 30.0 m-85 -92.41 104.33 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.078 -0.51 . . . . 62.5 110.096 173.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 6.6 tt -90.67 102.15 14.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.239 -0.652 . . . . 62.03 109.239 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 142' ' ' GLN . 49.0 tp60 -103.89 113.45 26.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.309 -0.405 . . . . 74.42 110.682 176.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.492 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.5 mt -84.27 116.83 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 144' ' ' SER . 46.3 t -132.04 82.46 59.17 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 120.87 0.366 . . . . 63.44 110.34 -178.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.916 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.9 Cg_exo -63.23 130.31 28.33 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.547 2.165 . . . . 54.43 110.921 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.72 -41.93 91.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 54.31 111.164 -174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.7 22.14 40.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.906 -0.664 . . . . 73.53 112.904 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.916 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -80.63 175.9 10.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.721 0.296 . . . . 62.43 110.932 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.496 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 4.8 m -61.89 94.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.902 -0.59 . . . . 74.21 110.816 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.5 mt -50.06 -43.97 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.572 0.582 . . . . 74.12 112.572 -174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -51.74 68.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.49 0.552 . . . . 64.34 112.49 -175.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 16.1 pttp -85.93 -21.02 28.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.593 -0.443 . . . . 73.21 111.039 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 30.1 ttpt -75.26 -30.74 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.877 -0.416 . . . . 71.45 109.877 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -65.71 -27.96 68.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.214 -0.661 . . . . 65.13 109.214 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 32' ' ' ILE . 47.8 t -58.81 -41.74 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.667 . . . . 71.22 109.893 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.9 -34.59 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.424 -0.353 . . . . 71.42 111.066 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.69 -34.41 78.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.284 0.564 . . . . 73.2 109.949 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.7 m -71.57 -33.6 69.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 54.2 110.009 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.459 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.2 m -68.05 -36.12 79.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 64.31 111.327 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -54.72 -41.09 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 53.31 111.114 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.64 64.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.14 111.08 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.29 -44.59 24.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.351 -0.386 . . . . 54.14 111.591 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.8 tp -60.93 -35.47 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.325 -0.398 . . . . 61.33 111.112 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -26.5 45.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.865 0.364 . . . . 74.11 110.826 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.2 m -76.96 -41.32 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.531 -0.304 . . . . 74.53 110.615 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.635 ' HB3' HG11 ' A' ' 7' ' ' VAL . 10.8 p -64.83 -40.44 95.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 75.4 111.248 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.56 -27.37 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.393 . . . . 73.14 111.183 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.64 -82.52 1.06 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.57 -0.824 . . . . 64.21 111.617 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.819 HG21 HG23 ' A' ' 138' ' ' ILE . 11.5 m 63.78 -65.99 0.11 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.699 0.8 . . . . 64.24 112.548 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.91 -30.46 9.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.476 -0.392 . . . . 54.33 112.85 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -160.9 123.43 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 73.33 110.665 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.819 HG23 HG21 ' A' ' 135' ' ' THR . 1.6 pp -143.41 177.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.88 -0.6 . . . . 75.23 111.181 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.39 102.19 9.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 70.53 109.769 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -105.15 124.09 48.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.279 -0.419 . . . . 75.12 109.989 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 52.2 p90 -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.836 -0.431 . . . . 72.41 109.836 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 76.9 mt-30 -115.19 122.79 47.11 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.603 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.728 HG11 ' HB3' ' A' ' 149' ' ' MET . 21.6 m -106.23 130.72 57.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.933 -0.576 . . . . 71.11 110.464 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 110' ' ' CYS . 13.5 p -91.77 -18.28 24.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 71.51 110.548 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.96 167.75 25.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.304 -0.862 . . . . 72.12 109.99 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.681 ' HA ' ' HG2' ' A' ' 149' ' ' MET . 0.0 OUTLIER -81.48 -21.83 38.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.687 -0.688 . . . . 75.33 112.03 -175.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.1 t -67.62 -40.2 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.795 0.331 . . . . 63.02 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -71.03 -36.07 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.813 0.301 . . . . 71.44 111.813 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.728 ' HB3' HG11 ' A' ' 143' ' ' VAL . 25.7 ptm -81.75 29.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 61.42 111.656 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.0 m -54.54 151.01 8.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.742 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.54 -24.77 57.95 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.343 0.497 . . . . 72.41 112.343 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -73.29 -34.29 65.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -63.98 -33.77 76.49 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.438 -0.105 . . . . 64.41 111.006 -173.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.38 -37.48 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 73.54 110.655 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.89 -52.19 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.421 -0.585 . . . . 61.32 109.421 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -63.6 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 73.52 110.952 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -69.87 -40.32 75.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.028 -0.533 . . . . 63.3 111.19 -177.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.5 tp -77.64 -10.86 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.041 0.448 . . . . 64.32 110.136 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.98 -41.88 3.19 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.825 -0.702 . . . . 54.22 113.347 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.46 -22.11 61.06 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.523 0.934 . . . . 65.15 113.523 -170.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.585 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -64.01 -39.5 94.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.84 -0.344 . . . . 70.44 111.649 -173.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.585 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.9 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 73.02 111.074 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.379 0.609 . . . . 43.04 110.803 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -126.13 -18.28 5.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 55.42 110.084 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.35 101.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.448 -0.882 . . . . 63.22 111.745 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.77 129.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.692 -0.484 . . . . 60.42 109.692 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 36.9 mtt -99.42 169.46 9.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.264 -0.426 . . . . 70.14 109.854 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.12 120.06 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.964 0.411 . . . . 72.1 111.236 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.91 136.02 83.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.919 -0.582 . . . . 70.1 110.154 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.87 -26.37 80.5 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 62.1 111.311 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.26 -33.86 68.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.14 -0.936 . . . . 75.24 111.004 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.37 -46.98 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.208 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.03 -40.64 95.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.522 . . . . 72.01 110.926 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 m -59.72 -39.48 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 54.25 110.489 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.611 ' HB3' HD13 ' A' ' 28' ' ' ILE . 21.8 m -75.75 -19.01 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.484 -0.78 . . . . 63.3 111.221 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.8 m-85 -81.54 -43.09 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.958 0.409 . . . . 64.02 111.332 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -71.43 -14.33 62.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.838 0.31 . . . . 74.13 111.838 -174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.8 ptmm? -71.58 -18.24 62.25 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.847 -0.341 . . . . 72.01 111.211 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.2 pt? -123.87 -34.12 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.281 -0.568 . . . . 74.44 111.154 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -58.78 -53.99 52.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.996 0.427 . . . . 71.33 110.41 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -110.29 26.85 10.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.37 -0.604 . . . . 62.25 109.37 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.29 -124.51 2.77 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.733 -0.746 . . . . 74.41 113.009 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -99.36 15.87 24.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.976 0.362 . . . . 73.23 111.976 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 29.5 mtpp 52.15 -95.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.854 1.057 . . . . 72.43 113.854 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.669 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 3.3 mp0 -71.86 -6.53 42.37 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.08 0.4 . . . . 75.25 112.08 -170.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -92.7 121.81 34.48 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.336 -0.546 . . . . 75.32 110.78 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' N ' ' HB ' ' A' ' 44' ' ' THR . 65.0 mtt-85 54.85 116.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.255 -1.339 . . . . 61.51 112.261 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -98.14 178.68 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.32 -0.622 . . . . 70.44 109.32 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.676 HG13 ' HD1' ' A' ' 30' ' ' PHE . 5.0 tp -120.47 124.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.453 0.645 . . . . 73.1 111.882 -173.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -115.73 116.99 54.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.174 -0.921 . . . . 72.34 109.286 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.676 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.5 p90 -133.37 153.75 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 63.22 111.294 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -142.27 154.08 44.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.29 -0.414 . . . . 62.14 111.125 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mm -78.16 128.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.18 -0.464 . . . . 73.41 109.879 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -132.79 116.76 16.94 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.284 -0.635 . . . . 73.05 109.284 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 71.94 -64.42 0.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.003 0.814 . . . . 74.03 111.039 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -151.98 -46.61 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.585 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -93.81 164.33 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.732 -175.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG21 ' HD2' ' A' ' 30' ' ' PHE . 7.2 p -90.29 134.59 28.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.009 -0.541 . . . . 62.42 110.412 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.674 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.7 pt -118.65 154.3 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 70.54 110.52 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.71 122.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.894 -0.41 . . . . 54.34 109.894 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -95.75 -50.83 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.717 -0.393 . . . . 52.32 110.4 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.55 142.49 29.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.662 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.77 74.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.944 -0.761 . . . . 71.33 108.944 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.75 150.37 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.468 -0.787 . . . . 74.44 111.299 -172.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.662 ' HB ' ' N ' ' A' ' 26' ' ' ARG . 5.8 t -111.54 163.07 14.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.044 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 pt20 -65.22 -23.71 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.187 0.517 . . . . 53.21 110.077 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 7.9 t70 -57.59 -60.84 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.855 . . . . 73.3 110.488 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 44' ' ' THR . 18.9 pt20 -70.23 -21.68 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 70.42 110.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 45.1 tp -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.252 -0.886 . . . . 72.43 110.848 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.38 -11.26 3.0 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.345 -0.931 . . . . 71.01 112.53 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.677 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.0 mm -85.81 179.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.171 -0.677 . . . . 72.13 109.171 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 50' ' ' ILE . 17.1 m -87.33 -32.9 19.4 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.18 0.808 . . . . 74.23 113.18 -168.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.72 -104.76 0.2 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 118.953 -1.594 . . . . 73.44 114.853 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 56' ' ' ASP . 4.7 m-20 -73.49 140.14 46.21 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.231 0.456 . . . . 71.4 112.231 -170.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.94 -64.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.736 -0.665 . . . . 72.33 112.588 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 13.2 t80 -99.29 -42.91 6.8 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.939 -0.704 . . . . 74.42 110.891 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.1 m-20 -52.25 -43.43 64.35 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.489 0.493 . . . . 63.32 111.415 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -114.62 14.45 17.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.051 0.453 . . . . 74.05 110.467 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m 60.79 24.18 14.1 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.015 0.746 . . . . 64.32 113.015 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.6 m -80.42 -0.02 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.292 . . . . 74.2 111.317 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.26 54.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.084 -0.507 . . . . 75.02 110.853 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.93 -23.29 1.89 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.876 -0.602 . . . . 72.13 111.431 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.78 -35.82 71.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 52.01 110.77 174.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -76.47 -23.34 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 72.43 110.674 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -33.4 74.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 60.5 110.355 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -86.82 -23.92 25.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 75.43 110.86 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.4 m-85 -62.9 -44.78 95.16 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.425 -0.352 . . . . 60.33 111.525 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.794 HG12 ' HG3' ' A' ' 149' ' ' MET . 30.5 m -57.3 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 63.42 111.682 -175.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.96 -38.62 20.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.442 -0.345 . . . . 65.41 111.367 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 3.5 t70 -65.83 -34.07 77.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.362 -0.607 . . . . 55.53 109.362 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 66' ' ' PHE . 76.1 t -57.48 -41.48 78.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.744 -0.662 . . . . 53.13 110.179 174.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.64 -50.71 70.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.429 0.633 . . . . 73.33 109.914 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -54.29 -37.23 64.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.601 -1.181 . . . . 72.43 111.903 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 31.7 mmt180 -85.55 -45.44 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.311 0.486 . . . . 75.43 112.311 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 79' ' ' ASP . 79.1 p -84.25 -13.55 52.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.877 0.325 . . . . 45.5 111.877 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.56 -72.06 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.71 0.631 . . . . 62.5 111.012 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -134.88 56.37 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.959 -0.386 . . . . 74.23 109.959 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER 41.94 42.03 2.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.217 -0.901 . . . . 62.31 112.851 177.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -93.84 12.24 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.35 0.595 . . . . 54.31 110.195 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.63 ' HB3' HG22 ' A' ' 74' ' ' THR . 23.7 t70 -125.97 142.44 51.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.11 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 p -134.88 149.92 50.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.043 -0.526 . . . . 72.31 109.865 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.505 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 17.9 ptt180 -161.92 167.87 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 73.24 110.942 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -116.12 128.84 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 75.24 110.075 -176.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.25 146.99 45.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.716 0.293 . . . . 60.05 110.707 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.5 t -133.19 130.27 57.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.093 0.473 . . . . 75.51 110.824 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -133.6 145.26 49.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.074 -0.713 . . . . 72.32 109.074 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.668 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.4 t70 -90.9 97.6 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.385 -1.339 . . . . 73.23 107.385 169.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.64 108.31 19.6 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.712 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.669 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -111.39 134.5 52.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 74.55 110.573 178.044 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.9 p90 -145.73 -172.83 3.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.095 -0.957 . . . . 71.33 109.268 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 18.5 p -126.26 136.55 52.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.017 0.436 . . . . 71.12 111.097 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 98' ' ' THR . 80.2 m -116.51 132.48 56.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 63.42 110.526 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.7 m -72.03 103.89 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 65.04 109.81 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 59.8 ttt180 -83.7 135.28 34.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.912 -0.585 . . . . 74.23 110.598 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 119.45 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 75.34 110.463 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.59 2.63 67.34 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.593 -0.73 . . . . 62.32 111.46 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.95 -159.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.183 -0.302 . . . . 72.04 110.183 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.68 -155.49 10.38 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.46 -0.656 . . . . 70.14 111.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 1.6 p -76.56 117.7 18.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.124 0.462 . . . . 73.41 110.561 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' THR . 12.9 m -101.97 141.27 35.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.046 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -74.97 130.43 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.154 -0.313 . . . . 72.42 110.154 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.1 mtt -135.16 111.13 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.185 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.4 p-10 -104.23 147.87 26.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.632 -0.713 . . . . 72.24 109.747 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 1.015 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.47 115.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 71.33 111.363 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 9.0 tt -65.49 121.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 73.43 109.981 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.543 HG21 HD21 ' A' ' 158' ' ' LEU . 23.0 pt -121.42 147.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.05 0.453 . . . . 73.44 111.618 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.561 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 48.7 m-85 -94.18 102.79 14.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.623 -0.717 . . . . 62.22 110.452 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HG ' ' HE1' ' A' ' 141' ' ' PHE . 8.9 tt -91.87 102.25 14.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.871 -0.604 . . . . 60.31 109.397 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 110' ' ' CYS . 50.0 tp60 -96.92 112.1 24.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.874 -0.603 . . . . 64.22 110.55 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.46 105.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.108 -0.701 . . . . 65.41 109.108 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.451 ' HB2' HE21 ' A' ' 108' ' ' GLN . 48.5 t -146.36 90.61 5.61 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.998 -0.546 . . . . 61.13 110.084 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.891 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 20.1 Cg_exo -67.24 157.66 60.69 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.582 2.188 . . . . 65.43 111.947 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.42 -56.05 4.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.921 -0.399 . . . . 54.52 109.921 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.93 53.33 4.72 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 65.04 111.536 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -113.28 177.23 4.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.705 0.288 . . . . 74.3 110.882 -176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -66.33 89.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.756 -0.656 . . . . 54.41 110.137 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.57 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 72.6 mt -52.82 -31.31 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 O-C-N 123.742 0.651 . . . . 74.33 112.417 -171.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -55.31 -65.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.729 0.299 . . . . 73.45 111.196 -178.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -79.5 -21.28 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 75.43 110.833 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 116' ' ' ILE . 29.7 tttp -65.38 -38.99 91.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.343 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -22.06 55.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 70.54 110.058 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.2 t -63.61 -43.08 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.453 -0.573 . . . . 45.43 109.453 175.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 31.1 m-85 -67.15 -26.61 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 73.51 111.802 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.11 75.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.387 0.613 . . . . 71.25 109.758 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 m -77.64 -31.38 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 61.05 109.823 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 m -67.59 -34.17 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.107 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.498 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -60.35 -39.48 87.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.018 0.437 . . . . 65.1 110.589 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.73 -38.11 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 75.35 110.321 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.71 -51.11 53.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 45.35 111.105 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.0 tp -61.14 -33.0 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.089 0.471 . . . . 62.24 110.178 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 130' ' ' LYS . 19.5 ttpt -65.39 -46.47 79.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 63.2 110.204 176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.7 m -66.93 -38.26 85.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.654 . . . . 55.22 111.212 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 p -69.0 -31.46 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.866 0.321 . . . . 72.53 111.866 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 11.0 mp -99.21 -28.08 13.51 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.391 -0.524 . . . . 73.35 112.034 -177.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 47.04 50.1 16.54 Favored Glycine 0 CA--C 1.521 0.46 0 O-C-N 123.388 0.43 . . . . 50.31 112.851 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.579 HG21 HG23 ' A' ' 138' ' ' ILE . 3.5 m -66.08 -46.18 78.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.388 . . . . 45.43 111.599 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.27 7.39 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.058 -0.592 . . . . 75.13 112.598 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -153.44 114.93 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.917 0.389 . . . . 63.42 110.577 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.579 HG23 HG21 ' A' ' 135' ' ' THR . 1.1 pp -150.69 159.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 75.14 110.138 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -97.28 98.94 10.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.495 -0.928 . . . . 71.25 108.495 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -104.15 119.34 38.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.445 -0.798 . . . . 65.43 109.184 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.591 ' HE1' ' HG ' ' A' ' 107' ' ' LEU . 9.4 p90 -132.38 143.78 50.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.031 -0.531 . . . . 74.02 110.856 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -97.65 111.15 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 71.33 109.673 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.508 HG13 ' HD1' ' A' ' 141' ' ' PHE . 35.7 m -104.87 150.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.756 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.875 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.6 p -140.43 -46.0 0.41 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.003 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.39 154.31 26.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.057 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.458 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 12.7 pt-20 -53.23 -39.46 63.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 64.42 111.291 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -64.01 -38.98 93.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.562 -0.29 . . . . 64.42 110.857 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.445 ' HB3' HG12 ' A' ' 143' ' ' VAL . 46.6 mt-10 -65.41 -34.24 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.554 . . . . 61.44 110.895 -177.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.794 ' HG3' HG12 ' A' ' 67' ' ' VAL . 23.9 ptp -95.96 12.72 29.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 70.15 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.2 m -92.54 164.65 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 72.24 111.084 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -60.85 -25.59 66.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 63.13 111.911 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -65.96 -58.96 4.34 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.625 0.231 . . . . 71.52 111.625 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 4.5 mm-40 -64.38 -38.54 91.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.755 0.28 . . . . 64.44 111.755 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 mt -59.95 -41.39 91.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.795 0.331 . . . . 73.25 110.566 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.23 -37.67 72.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.219 -0.446 . . . . 72.14 109.894 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.02 -49.15 77.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.667 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 10.6 mptt -66.33 -48.53 69.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.674 0.75 . . . . 73.42 110.73 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.543 HD21 HG21 ' A' ' 105' ' ' ILE . 38.5 mt -67.51 -15.35 63.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.236 -0.893 . . . . 71.05 111.694 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -90.99 -39.27 5.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.477 -0.868 . . . . 44.53 112.323 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 13.7 pt-20 -69.56 -32.74 71.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.902 0.351 . . . . 72.42 111.3 -177.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.758 ' HG3' ' H ' ' A' ' 162' ' ' TYR . 16.1 pttp -48.1 -63.79 0.97 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.451 0.469 . . . . 62.31 112.242 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.758 ' H ' ' HG3' ' A' ' 161' ' ' LYS . 48.6 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.115 0.484 . . . . 75.31 110.931 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 121.499 0.666 . . . . 45.4 109.951 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -90.05 -16.73 29.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.362 -0.835 . . . . 62.23 111.215 -173.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 92.28 0.76 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.274 -0.965 . . . . 63.34 111.921 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.75 128.45 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.79 0.328 . . . . 73.35 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 23.5 ptm -107.08 153.98 21.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.301 -0.409 . . . . 73.25 110.163 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.711 HG12 ' HB ' ' A' ' 37' ' ' VAL . 31.5 m -117.0 143.81 26.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.607 -0.269 . . . . 64.4 110.363 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.82 151.61 91.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.469 -0.567 . . . . 75.13 109.469 178.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.14 -34.53 87.98 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.03 2.486 . . . . 55.14 114.105 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.6 -10.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.878 -0.329 . . . . 72.31 111.788 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' ASP . 32.7 m -58.55 -49.55 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.897 -0.721 . . . . 73.11 109.411 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.876 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 44.3 mt-30 -71.94 -35.54 69.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.563 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.624 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 10.4 m -59.71 -31.97 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.055 -0.521 . . . . 75.25 110.288 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.574 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 68.8 m -79.21 -32.44 44.02 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.342 -0.39 . . . . 64.14 111.482 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.876 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 51.9 m-85 -62.2 -40.49 96.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.518 0.675 . . . . 73.13 109.962 175.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.42 -15.99 53.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.449 -0.796 . . . . 73.53 110.385 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 13' ' ' THR . 29.6 ttmt -73.91 -28.26 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 74.33 110.772 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 3.6 pp -93.21 -31.35 14.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.909 0.385 . . . . 72.32 110.614 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 m -76.77 -10.44 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 55.54 112.124 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.72 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.26 0.467 . . . . 53.42 112.26 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.26 -84.57 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.875 -1.155 . . . . 54.41 113.685 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.9 tpt180 -94.2 -18.97 21.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.789 0.292 . . . . 71.42 111.789 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.1 mtpm? 74.1 -44.68 0.57 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.913 0.485 . . . . 73.22 110.101 -173.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.19 18.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 74.43 110.643 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -75.78 -166.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.669 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.746 ' HD3' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -40.31 125.17 2.04 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.71 0.631 . . . . 64.41 111.642 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 80.6 m-85 -97.0 163.47 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.0 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.591 HG13 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -107.04 113.95 44.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.788 -0.642 . . . . 72.33 111.507 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mm -109.56 122.38 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.282 -0.872 . . . . 71.22 109.062 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HG13 ' A' ' 28' ' ' ILE . 3.7 p90 -137.63 142.55 41.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.381 0.61 . . . . 74.02 112.156 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mptm? -127.27 178.33 6.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.566 -0.743 . . . . 73.0 110.52 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.441 HD11 ' OG ' ' A' ' 125' ' ' SER . 13.3 mm -92.56 123.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.915 -0.584 . . . . 71.15 110.539 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 38' ' ' ILE . 17.1 t70 -108.5 96.26 6.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.86 -0.793 . . . . 73.44 108.86 173.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 68.05 -69.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.395 -0.821 . . . . 74.2 111.351 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.47 -14.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.937 0.347 . . . . 72.34 111.937 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -116.81 154.35 30.88 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.986 -0.686 . . . . 74.04 111.517 -177.444 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.711 ' HB ' HG12 ' A' ' 7' ' ' VAL . 40.9 t -90.05 121.95 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 61.33 109.965 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -119.77 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.853 0.359 . . . . 71.14 110.739 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.22 121.1 14.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 54.42 110.478 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -91.29 -55.76 3.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.052 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.21 141.08 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 64.45 111.194 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.88 81.09 1.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.635 -0.711 . . . . 75.5 109.117 172.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -134.63 141.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.877 -0.601 . . . . 62.45 110.79 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 47' ' ' GLN . 3.6 t -100.75 156.78 17.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.363 -0.38 . . . . 61.22 110.029 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.765 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 10.8 pt20 -68.96 -19.3 64.16 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 120.882 0.372 . . . . 74.12 110.312 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.12 -53.57 56.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.796 -0.638 . . . . 63.24 110.346 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.656 ' H ' HG23 ' A' ' 44' ' ' THR . 4.2 pt20 -80.31 -17.48 51.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.386 -0.37 . . . . 75.42 110.653 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 55.6 tp -65.63 -15.65 62.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.8 -0.636 . . . . 75.25 110.352 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.88 36.5 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.837 -0.697 . . . . 74.53 112.023 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 51' ' ' THR . 16.1 mm -92.35 171.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.087 -0.709 . . . . 72.44 109.087 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.606 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.1 m -58.25 -59.5 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.716 0.265 . . . . 65.03 111.716 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.23 -91.71 0.13 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 63.14 112.127 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.733 ' HB2' ' H ' ' A' ' 57' ' ' ASP . 1.7 m-20 -65.32 133.89 52.39 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.685 -0.487 . . . . 74.55 109.685 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.18 -64.53 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.118 0.785 . . . . 75.12 113.118 -172.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.997 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 12.1 t80 -109.32 -17.12 13.89 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.543 -0.723 . . . . 70.24 110.528 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.19 -55.66 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.1 -0.5 . . . . 74.21 110.678 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.733 ' H ' ' HB2' ' A' ' 53' ' ' ASP . 37.0 t0 -94.93 7.2 46.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.355 0.598 . . . . 75.11 109.627 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.0 m 61.72 83.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 64.34 112.186 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -125.85 2.49 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.695 -0.684 . . . . 64.22 110.268 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -54.94 -24.95 26.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.856 -0.611 . . . . 61.41 111.209 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.09 -27.2 63.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.213 -0.449 . . . . 45.21 111.275 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.52 81.23 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.069 0.461 . . . . 60.14 110.008 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 99.5 m-85 -79.8 -22.37 43.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.816 -0.629 . . . . 73.43 110.351 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -38.94 92.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.709 -0.678 . . . . 75.44 110.156 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.04 -22.38 25.51 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.866 0.365 . . . . 72.04 110.384 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.686 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 73.5 t80 -58.8 -49.17 78.69 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 123.181 0.592 . . . . 73.5 111.29 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.8 m -60.32 -24.68 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 74.42 110.963 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 27.5 mm-40 -77.54 -49.85 13.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.091 -0.504 . . . . 52.03 111.0 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 24.8 t70 -57.08 -42.85 81.46 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.304 -0.628 . . . . 70.4 109.304 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.543 HG13 HH22 ' A' ' 81' ' ' ARG . 73.5 t -57.68 -51.63 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.468 -0.787 . . . . 75.04 110.832 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -72.48 -20.23 61.41 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.939 -0.705 . . . . 74.45 111.019 -173.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 m -75.31 -49.77 18.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.538 -0.301 . . . . 74.35 110.868 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 13.0 ptm180 -73.74 -31.59 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.986 0.422 . . . . 72.33 111.201 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -76.81 -27.56 55.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 71.43 109.858 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 64.49 -77.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.263 -0.881 . . . . 70.03 111.028 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -105.05 -76.63 0.6 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.903 -0.406 . . . . 64.41 109.903 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -165.03 31.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.387 0.613 . . . . 62.32 109.707 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -81.66 -49.15 10.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.457 -0.792 . . . . 72.51 111.38 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -77.4 140.95 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.03 0.443 . . . . 73.41 110.525 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 p -156.05 145.29 20.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.946 -0.57 . . . . 71.53 109.806 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.543 HH22 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -162.99 168.33 21.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.994 0.426 . . . . 63.42 111.806 -176.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 36.6 m-85 -114.1 141.87 46.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 72.53 110.466 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -149.4 157.55 43.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.457 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.517 HG21 ' HE1' ' A' ' 15' ' ' PHE . 84.4 t -136.91 131.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.508 -0.315 . . . . 62.52 110.454 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.79 147.06 49.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.18 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.775 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 23.0 t70 -95.64 100.48 12.21 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.869 -0.789 . . . . 64.01 108.869 171.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HE1' ' CZ ' ' A' ' 63' ' ' PHE . 32.9 m-85 -91.29 145.94 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.208 0.528 . . . . 63.2 112.285 -175.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 36.7 ttmt -128.38 116.62 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.388 -0.823 . . . . 73.42 109.903 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.997 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.6 p90 -126.54 177.42 6.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.893 0.377 . . . . 72.23 110.874 -173.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -127.88 122.67 33.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 72.22 109.932 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 50.2 t -109.19 141.51 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.352 -0.386 . . . . 75.23 110.513 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 p -72.83 117.11 14.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 24.21 109.841 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.669 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.5 tmt_? -94.01 121.17 35.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.298 -0.631 . . . . 63.23 109.298 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.08 113.53 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.158 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.57 7.87 58.79 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.803 -0.713 . . . . 51.22 112.078 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.57 -160.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.972 -0.381 . . . . 72.33 109.972 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.95 -153.44 25.37 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.625 -0.798 . . . . 61.13 112.145 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 p -81.34 121.03 25.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.144 0.497 . . . . 60.12 111.01 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -95.19 111.52 23.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.609 . . . . 33.35 110.992 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 6.3 tmmm? -85.79 116.66 24.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.006 -0.543 . . . . 75.52 109.797 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.8 mtt -135.9 156.82 48.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.153 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.5 p30 -127.77 153.0 47.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.462 -0.335 . . . . 73.4 110.321 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.746 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -165.58 122.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.91 0.386 . . . . 61.33 111.484 176.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.775 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 14.7 tt -69.82 132.43 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.672 -0.694 . . . . 62.34 110.064 174.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 87' ' ' PHE . 32.4 pt -137.22 158.63 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 75.42 112.044 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.693 ' HB3' ' HG2' ' A' ' 140' ' ' GLN . 2.8 m-85 -86.72 132.31 33.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.153 -0.931 . . . . 74.25 111.4 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 83' ' ' ALA . 7.5 tt -112.56 104.24 12.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.513 -0.767 . . . . 65.14 109.751 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.542 HE21 ' HB3' ' A' ' 110' ' ' CYS . 45.6 tt0 -102.31 104.69 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 72.43 111.105 176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 107' ' ' LEU . 64.7 mt -91.21 93.08 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.91 -0.774 . . . . 64.04 108.91 171.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.542 ' HB3' HE21 ' A' ' 108' ' ' GLN . 51.6 t -133.53 97.21 16.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.32 -0.4 . . . . 75.43 110.973 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.747 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 40.6 Cg_exo -60.93 120.27 7.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.024 2.483 . . . . 73.4 111.424 173.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 33.5 t70 -73.26 -25.58 60.75 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.638 -0.425 . . . . 61.2 110.799 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.11 10.9 66.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 54.44 112.264 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -79.18 176.78 9.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 62.51 110.859 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.2 m -57.45 107.4 0.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 42.31 110.959 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 86.3 mt -56.85 -43.21 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.276 0.843 . . . . 71.35 113.276 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.77 -51.24 70.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 53.35 111.385 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -85.21 -21.2 29.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.476 -0.329 . . . . 64.42 110.858 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 32.4 ttpt -64.52 -39.79 94.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.466 -0.568 . . . . 63.44 109.466 174.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 53.6 mtt -59.79 -33.38 71.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.507 -0.77 . . . . 72.23 110.546 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.56 -48.94 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 75.12 110.117 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 75.11 111.067 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.23 89.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 64.34 110.697 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 m -69.72 -22.66 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 52.32 110.571 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' ILE . 21.2 m -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.726 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.59 86.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.092 0.472 . . . . 61.24 110.616 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.44 -39.68 77.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 33.14 110.538 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.92 -54.79 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 61.45 111.653 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' HD13 ' A' ' 133' ' ' LEU . 5.4 tp -60.29 -31.75 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.452 -0.34 . . . . 64.22 110.718 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -71.86 -43.57 65.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.978 -0.379 . . . . 74.4 109.978 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.7 m -58.75 -39.08 79.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 65.52 111.421 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 p -69.29 -38.57 78.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.398 -0.365 . . . . 71.43 111.609 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 15' ' ' PHE . 11.2 mp -88.67 -26.61 21.76 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.67 -0.412 . . . . 74.02 111.986 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.46 -90.5 0.54 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.794 -0.717 . . . . 64.03 111.388 -174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.7 p 45.53 -102.11 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.76 0.824 . . . . 53.42 112.718 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.55 -24.37 32.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.105 -0.569 . . . . 55.32 112.884 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.601 ' H ' ' HD3' ' A' ' 137' ' ' LYS . 0.2 OUTLIER -101.67 32.18 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.309 0.576 . . . . 73.34 110.638 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.4 pp -109.97 161.87 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.425 -0.807 . . . . 62.15 110.074 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 161' ' ' LYS . 3.0 mm? -101.09 138.66 37.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.321 -0.622 . . . . 73.01 109.321 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -132.33 112.52 12.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 65.44 110.031 -175.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 107' ' ' LEU . 37.4 p90 -110.9 131.62 54.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 74.32 110.657 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -102.75 115.03 29.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.621 -0.718 . . . . 74.44 109.874 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 141' ' ' PHE . 33.7 m -119.94 149.36 22.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.203 -0.453 . . . . 62.04 111.537 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 17.5 p -138.15 2.95 2.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.781 -0.645 . . . . 52.22 110.802 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.97 151.03 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 74.44 110.476 -175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.725 ' HA ' ' HE2' ' A' ' 149' ' ' MET . 7.1 pt-20 -63.13 -41.06 99.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.258 0.466 . . . . 55.11 112.258 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.5 t -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.224 0.535 . . . . 63.51 110.357 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.3 2.64 20.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.838 -0.619 . . . . 74.25 111.889 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.725 ' HE2' ' HA ' ' A' ' 146' ' ' GLU . 26.6 ptt? -125.89 14.35 7.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.272 0.558 . . . . 75.04 110.14 175.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.6 m -75.91 169.7 17.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 63.31 110.405 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -57.0 -26.66 60.61 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.256 0.465 . . . . 63.34 112.256 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -55.25 -48.66 73.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.767 0.318 . . . . 73.33 110.838 172.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -59.1 -46.24 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.815 -0.63 . . . . 65.24 111.708 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 99.1 mt -58.31 -45.93 87.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 72.21 110.595 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 155' ' ' LEU . 4.6 tt -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.628 -0.508 . . . . 75.52 109.628 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -55.77 -59.64 4.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.779 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 3.8 mptp? -74.81 -22.74 58.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.585 0.707 . . . . 74.02 110.783 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.4 mp -70.51 -30.21 66.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.46 -0.791 . . . . 74.14 110.639 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.34 -52.39 2.03 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.678 -0.772 . . . . 64.21 112.937 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 11.0 pt-20 -52.78 -41.92 64.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.888 1.07 . . . . 75.2 113.888 -168.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 139' ' ' LEU . 0.8 OUTLIER -66.36 -18.8 65.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.627 0.603 . . . . 65.45 112.627 -172.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 112.647 0.61 . . . . 60.5 112.647 175.267 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 52.43 111.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -99.26 -5.32 30.05 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.822 0.344 . . . . 71.21 110.296 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.67 89.52 1.43 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.202 -0.999 . . . . 30.03 112.993 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.01 123.97 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.784 . . . . 72.53 108.882 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.438 ' HG3' ' CB ' ' A' ' 36' ' ' LYS . 23.8 ptt? -101.36 171.08 7.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.9 0.381 . . . . 62.43 110.932 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 132' ' ' SER . 7.7 p -115.8 129.19 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.275 -0.421 . . . . 62.41 111.154 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 10' ' ' ASP . 19.9 t70 -65.09 137.35 97.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 65.14 110.498 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.38 -36.39 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.146 2.564 . . . . 73.3 113.568 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 4.0 m-20 -68.79 -17.7 64.07 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.745 0.276 . . . . 74.31 111.745 -174.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 37' ' ' VAL . 91.0 t -58.95 -50.47 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 75.04 109.722 174.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.97 -35.62 80.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 74.3 110.689 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -64.07 -26.24 68.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.304 0.573 . . . . 62.12 110.77 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' HD13 ' A' ' 28' ' ' ILE . 50.9 m -84.38 -28.04 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 70.51 110.891 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.683 ' HE1' HG11 ' A' ' 84' ' ' VAL . 24.5 m-85 -71.13 -28.15 64.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.49 -0.323 . . . . 70.21 110.508 174.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.2 mm100 -57.85 -54.21 49.49 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.42 112.229 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -65.05 -6.6 9.18 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 54.51 111.65 -175.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 86' ' ' ASP . 9.6 tt -97.52 -56.36 2.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.565 -0.532 . . . . 51.12 109.565 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -71.06 -44.26 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.887 -0.597 . . . . 73.1 112.065 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 8.0 pt-20 -91.83 3.25 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 74.15 109.507 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.25 -117.17 1.82 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.352 -0.84 . . . . 61.25 111.108 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -111.26 -70.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.901 -0.32 . . . . 72.4 110.854 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.73 ' HG3' ' H ' ' A' ' 24' ' ' GLU . 17.8 pttp 175.83 -73.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.647 -0.706 . . . . 75.25 110.273 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 22.4 mt-10 -81.49 23.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 72.35 111.199 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -71.7 -169.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.977 -0.556 . . . . 75.33 109.985 178.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HA ' ' N ' ' A' ' 44' ' ' THR . 3.1 ptm180 -58.04 119.35 6.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.083 -0.34 . . . . 70.31 110.083 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -99.25 178.23 4.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.896 -0.721 . . . . 74.2 111.161 -176.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.77 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -111.32 132.25 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.607 -0.724 . . . . 71.42 112.203 -164.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 119.96 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.482 -0.933 . . . . 74.32 108.482 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.1 p90 -138.07 147.23 43.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.493 0.663 . . . . 75.21 112.54 -174.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HE3' ' HD3' ' A' ' 81' ' ' ARG . 4.8 mptt -133.55 176.82 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.076 -0.965 . . . . 73.12 109.865 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG12 ' CE1' ' A' ' 122' ' ' TYR . 28.1 mm -88.71 131.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.307 0.575 . . . . 73.34 111.424 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.487 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.0 t70 -125.42 115.43 20.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.25 -0.886 . . . . 74.45 108.961 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 67.5 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.458 0.474 . . . . 72.21 110.972 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -150.5 18.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.465 0.65 . . . . 71.44 110.287 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -142.97 155.43 44.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.748 -0.464 . . . . 75.42 109.748 174.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.742 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.1 p -85.3 134.74 26.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.309 -0.405 . . . . 61.22 110.632 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.0 pt -121.08 160.41 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 54.41 111.148 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 28' ' ' ILE . 95.6 t -84.4 120.85 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.922 -0.581 . . . . 54.53 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -91.62 -51.07 5.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.907 -0.588 . . . . 75.14 110.158 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.33 145.92 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 45.31 111.858 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -129.17 92.2 3.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.439 -0.8 . . . . 62.11 108.948 170.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 47' ' ' GLN . 7.6 p -146.85 141.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 75.0 110.742 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.536 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 5.1 t -99.99 159.76 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.569 . . . . 70.31 109.465 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.618 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 27.9 pt20 -67.88 -23.02 65.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.479 -0.489 . . . . 54.44 110.23 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.47 -46.04 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.188 -0.914 . . . . 74.22 111.396 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 43' ' ' VAL . 3.1 pt20 -91.78 -11.61 36.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 72.22 112.543 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 3.8 pp -84.99 -14.51 47.24 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.128 -0.629 . . . . 70.43 110.874 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.87 -17.14 2.8 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.296 -0.954 . . . . 60.24 113.097 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG12 HD11 ' A' ' 48' ' ' LEU . 24.1 mm -86.45 167.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.222 -0.659 . . . . 65.21 109.222 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.455 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -63.92 -43.24 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.946 0.35 . . . . 74.31 111.946 -177.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.82 -65.17 0.6 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.017 -1.087 . . . . 74.03 113.955 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 8.3 t70 -65.97 130.67 44.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 122.304 0.241 . . . . 62.21 110.728 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.15 -65.73 0.65 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.434 0.901 . . . . 63.31 113.434 -167.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.604 ' CB ' ' HA ' ' A' ' 89' ' ' PHE . 2.0 t80 -122.28 -16.96 7.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.176 -0.609 . . . . 74.45 112.334 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.55 -34.02 41.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.836 -0.802 . . . . 74.34 108.836 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 1.2 t70 -93.99 -25.55 17.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.938 -1.028 . . . . 54.42 109.829 170.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t 77.98 52.8 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.708 -1.133 . . . . 63.33 111.248 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -76.93 2.24 15.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.721 0.772 . . . . 70.35 109.027 168.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 3.2 tmmm? -44.89 -28.48 0.66 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.119 -1.4 . . . . 74.34 111.825 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.15 -23.9 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.143 0.423 . . . . 63.5 112.143 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.009 0.433 . . . . 75.1 111.543 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -61.7 -22.9 65.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 74.11 111.611 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.49 -34.9 78.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 63.23 111.032 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.95 -31.74 19.25 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.524 -0.47 . . . . 75.43 111.159 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 70' ' ' VAL . 24.5 m-85 -57.83 -44.57 86.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.87 0.322 . . . . 72.25 111.87 -177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.694 HG12 ' HG3' ' A' ' 149' ' ' MET . 28.2 m -58.44 -30.33 40.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.438 . . . . 63.41 111.568 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -81.57 -45.88 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 54.11 110.153 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.621 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 6.7 t0 -55.24 -46.18 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.935 -0.765 . . . . 63.21 108.935 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.3 t -56.74 -46.38 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.268 -0.878 . . . . 74.21 111.503 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -78.68 -29.89 45.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.01 -1.076 . . . . 65.31 110.983 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -70.12 -38.32 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.619 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -84.0 -13.52 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.882 -178.345 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -83.77 -37.35 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.034 -0.266 . . . . 72.02 111.118 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 68.5 -73.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.661 0.615 . . . . 64.43 112.661 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -84.76 -4.78 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.822 0.305 . . . . 74.32 111.822 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.9 mt 61.97 21.19 12.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.571 0.544 . . . . 72.4 111.752 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -96.14 30.02 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.897 0.379 . . . . 62.42 111.245 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -102.98 142.54 33.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 75.23 111.054 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.9 m -143.84 139.68 29.41 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.733 -1.21 . . . . 65.3 107.733 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 109' ' ' ILE . 13.3 ptp180 -162.94 175.86 10.75 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.307 -0.557 . . . . 52.44 111.245 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 126' ' ' ALA . 47.7 m-85 -124.47 129.1 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 75.31 110.042 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.39 136.62 43.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.401 -0.592 . . . . 51.44 109.401 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.683 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.8 t -123.31 130.32 74.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.531 -0.467 . . . . 65.13 111.364 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.82 143.49 45.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.582 -0.735 . . . . 75.01 109.447 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.697 ' HB2' HD21 ' A' ' 18' ' ' LEU . 11.8 t70 -99.66 100.16 11.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.884 -1.154 . . . . 75.24 107.884 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 105' ' ' ILE . 6.1 m-85 -99.55 141.56 32.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 61.1 111.782 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.97 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 4.0 ttpp -119.41 117.53 28.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.289 -0.869 . . . . 75.11 110.831 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 4.2 p90 -121.59 172.98 7.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.581 -0.736 . . . . 64.35 110.23 -174.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 21.7 p -132.41 132.22 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.079 -0.509 . . . . 63.15 110.481 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -129.22 142.81 50.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.249 -0.432 . . . . 74.01 109.902 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -60.38 117.22 4.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.401 . . . . 54.42 111.35 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.578 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 56.6 ttt180 -88.76 136.33 33.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 73.04 109.591 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.92 114.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.152 0.501 . . . . 71.24 111.097 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.88 13.78 81.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.908 -0.663 . . . . 73.11 112.584 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.72 -166.56 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.36 -0.237 . . . . 73.24 110.36 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.66 -142.77 10.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.977 -0.63 . . . . 60.21 112.579 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 25.8 p -88.44 118.29 27.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.885 0.374 . . . . 73.51 111.366 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 90' ' ' THR . 16.0 m -70.11 113.46 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 74.51 109.745 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HD2' ' A' ' 88' ' ' LYS . 28.1 ttpt -100.98 112.82 25.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.26 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.5 mtt -131.41 139.71 49.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 63.33 110.469 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.97 ' HB3' ' HB2' ' A' ' 88' ' ' LYS . 1.4 p30 -125.54 130.21 51.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 64.01 110.259 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.901 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -162.35 154.24 18.69 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.985 0.898 . . . . 73.25 112.555 177.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.66 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 3.7 tt -76.48 128.89 37.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 113.709 -1.587 . . . . 64.44 112.011 -174.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.758 HG22 ' HB2' ' A' ' 139' ' ' LEU . 24.6 pt -123.09 135.94 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.501 -0.772 . . . . 75.25 111.021 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HE1' HG21 ' A' ' 138' ' ' ILE . 41.3 m-85 -87.87 114.14 24.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.419 -0.809 . . . . 71.42 110.376 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.1 102.5 14.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.112 -0.699 . . . . 64.33 109.112 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -97.22 113.42 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 73.34 110.523 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.745 HD12 ' HG2' ' A' ' 81' ' ' ARG . 58.1 mt -86.28 109.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.548 -0.538 . . . . 74.43 109.548 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 119' ' ' LYS . 50.5 t -140.62 87.36 11.55 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.541 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.0 Cg_exo -65.39 137.29 50.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.877 2.384 . . . . 73.32 111.309 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.31 -55.72 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.163 -0.31 . . . . 73.31 110.163 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 44.63 3.35 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.782 -0.645 . . . . 75.41 112.199 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -102.89 176.6 5.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.746 0.308 . . . . 65.11 110.307 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 52.8 m -66.33 103.92 1.11 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.751 -0.659 . . . . 70.24 110.36 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 120' ' ' MET . 86.1 mt -53.44 -43.12 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 42.23 112.631 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -52.92 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.738 -0.385 . . . . 65.3 111.84 -174.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.658 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 22.1 ptmt -68.48 -34.43 75.91 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 74.54 110.169 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.653 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 36.2 ttpt -70.66 -32.36 69.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.213 0.53 . . . . 70.33 109.669 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.9 ttt -64.77 -34.0 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 74.4 109.904 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.58 -47.88 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.075 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.491 ' CE1' HG12 ' A' ' 32' ' ' ILE . 56.9 m-85 -62.8 -39.39 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.832 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.11 -32.43 69.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.516 . . . . 42.14 110.831 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 m -77.12 -18.22 58.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 71.35 110.334 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 32' ' ' ILE . 13.6 m -79.77 -30.29 40.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 75.23 110.9 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -52.96 -45.02 67.56 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.904 0.383 . . . . 74.33 110.993 176.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.27 92.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.907 -0.588 . . . . 65.24 110.819 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.52 47.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.942 -0.572 . . . . 73.12 111.546 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.445 HD11 HG11 ' A' ' 11' ' ' VAL . 3.5 tp -62.16 -32.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.165 0.507 . . . . 73.41 110.756 -175.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -72.87 -40.45 65.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.126 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.0 m -68.05 -40.38 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 73.01 110.772 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 7' ' ' VAL . 15.6 p -66.56 -26.92 67.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.614 -0.266 . . . . 74.45 111.23 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.559 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.9 mp -95.89 -15.41 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.862 -0.335 . . . . 73.13 111.129 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.4 26.62 74.38 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.99 -0.55 . . . . 63.02 112.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.5 m 68.07 -76.82 0.05 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.802 0.441 . . . . 75.12 110.846 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.31 78.45 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.08 -0.581 . . . . 74.24 112.748 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? 60.63 91.65 0.05 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.113 0.565 . . . . 73.14 111.148 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 104' ' ' ILE . 2.6 pp -134.68 169.06 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.759 -0.655 . . . . 73.1 110.829 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.758 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.0 mm? -117.9 146.66 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 74.25 108.962 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.04 131.93 31.39 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 72.03 109.828 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 105' ' ' ILE . 51.2 p90 -137.28 143.09 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.181 -0.463 . . . . 71.01 110.248 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -103.18 124.71 49.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 74.04 110.414 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.6 m -115.48 140.13 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.257 -0.429 . . . . 71.0 110.681 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.498 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.5 m -122.59 -33.97 3.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.92 -0.582 . . . . 75.2 109.944 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -107.81 154.76 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 53.12 110.222 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -71.88 -21.7 61.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.05 0.389 . . . . 55.31 112.05 -175.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 49.5 m -74.01 -17.56 60.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.954 0.406 . . . . 73.02 110.813 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.26 -22.84 28.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.908 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.694 ' HG3' HG12 ' A' ' 67' ' ' VAL . 22.9 ptp -96.16 14.43 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 73.53 110.199 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.5 m -81.1 167.08 20.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 71.11 110.538 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.409 ' CB ' ' HG2' ' A' ' 60' ' ' LYS . 7.5 p80 -63.62 -29.87 71.05 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.082 0.771 . . . . 74.1 113.082 -172.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -65.92 -45.19 82.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.872 -0.331 . . . . 75.24 110.987 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 20.6 mm-40 -72.24 -30.82 65.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.801 0.297 . . . . 61.42 111.801 -176.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.97 -46.3 88.37 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.669 -0.493 . . . . 62.33 109.669 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.515 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.5 tt -62.91 -40.38 97.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 71.44 109.792 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -55.52 -55.13 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 71.01 111.422 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 42.1 mmtt -69.03 -39.31 79.29 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 60.52 110.248 -175.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.09 -15.05 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 72.11 110.442 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.69 -44.06 3.76 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.087 -0.577 . . . . 44.0 112.365 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -70.95 -12.48 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.573 -0.369 . . . . 72.12 111.506 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -74.97 -17.88 60.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 72.43 111.455 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.544 ' HE1' ' HZ ' ' A' ' 89' ' ' PHE . 15.4 p90 . . . . . 0 C--N 1.332 -0.181 0 C-N-CA 120.618 -0.433 . . . . 74.14 111.516 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.244 -1.021 . . . . 62.01 108.244 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -92.76 14.04 18.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.911 -1.04 . . . . 64.45 110.466 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.64 67.1 1.32 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.589 -1.005 . . . . 54.4 110.589 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 36' ' ' LYS . 98.4 t -56.9 127.25 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.218 0.532 . . . . 75.43 110.307 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 54.2 mtt -98.53 158.76 15.4 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.519 -0.764 . . . . 62.32 109.312 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.804 ' HB ' HG21 ' A' ' 11' ' ' VAL . 34.6 m -109.29 131.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 116.395 -0.366 . . . . 62.53 110.042 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' A' ' 38' ' ' ILE . 15.7 t70 -61.52 136.97 94.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.377 -0.601 . . . . 43.42 109.377 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -29.68 6.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.386 2.724 . . . . 72.53 114.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -82.13 -14.59 55.5 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.349 0.5 . . . . 71.11 112.349 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 ' HB ' ' A' ' 7' ' ' VAL . 33.1 m -59.45 -49.43 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.404 -0.518 . . . . 74.24 111.483 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.75 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 49.0 mt-30 -73.56 -26.54 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 72.3 110.377 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -65.35 -41.67 93.61 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.818 -0.628 . . . . 73.12 109.713 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -71.35 -27.97 63.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 72.13 111.424 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.75 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 24.2 m-85 -59.38 -57.99 10.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 73.33 109.83 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.27 -38.13 85.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 73.14 110.588 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 35.4 ttmt -45.4 -50.67 12.18 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.268 -0.878 . . . . 71.35 112.16 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.27 -34.8 18.79 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.974 -0.29 . . . . 74.32 111.183 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -69.38 -35.68 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.409 0.522 . . . . 51.4 112.409 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -11.17 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.503 -0.479 . . . . 73.34 110.868 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.74 -89.38 0.42 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 109.917 -1.273 . . . . 72.43 109.917 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 99.2 mtt180 -108.47 -73.11 0.7 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.103 -1.073 . . . . 70.33 108.103 164.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 20.4 pttp 139.71 -32.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.721 2.008 . . . . 65.32 109.392 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 18.0 mp0 -84.14 0.73 47.43 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.72 0.772 . . . . 71.03 109.11 172.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -106.63 126.89 52.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.75 -1.114 . . . . 74.54 109.573 -176.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 1.046 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 14.9 ttt180 68.25 116.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.286 0.991 . . . . 72.23 110.399 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -104.36 168.32 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.615 -0.434 . . . . 62.52 110.652 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 39' ' ' VAL . 10.6 tp -133.7 137.1 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.355 0.597 . . . . 62.52 111.422 -171.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.71 135.59 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 51.5 110.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB2' ' HB3' ' A' ' 82' ' ' TYR . 92.5 m-85 -116.46 136.62 52.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 74.33 110.717 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . 3.5 tptm -127.01 160.72 30.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.239 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.486 HD11 ' OG ' ' A' ' 125' ' ' SER . 18.7 mm -99.12 122.48 50.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.319 0.58 . . . . 72.02 110.641 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 11.5 t70 -124.08 141.28 52.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.595 -1.261 . . . . 52.13 107.595 173.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 59.26 -97.44 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 61.22 110.19 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -147.15 22.02 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.575 . . . . 74.24 110.306 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -136.98 159.4 41.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.537 -0.302 . . . . 71.45 110.295 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 32' ' ' ILE . 9.5 p -92.49 132.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.379 0.609 . . . . 74.24 110.909 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.722 HG22 ' HB2' ' A' ' 8' ' ' ASP . 50.8 pt -126.83 171.41 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 73.34 110.516 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 28' ' ' ILE . 2.2 p -84.77 119.34 33.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.001 -0.545 . . . . 72.4 109.825 174.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 42.7 tt0 -86.86 -51.4 6.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 73.34 110.498 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.89 151.55 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 71.04 111.28 -172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.57 74.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.75 -0.833 . . . . 73.43 108.75 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.16 122.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.789 . . . . 63.25 111.305 -173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 1.046 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 1.7 t -114.82 148.43 38.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.056 175.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.5 pt20 -82.16 -18.32 43.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.252 -0.431 . . . . 72.5 111.124 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -44.74 79.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.588 -0.278 . . . . 70.41 110.631 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.931 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.6 pt20 -78.2 -23.26 47.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.262 0.553 . . . . 73.13 109.801 175.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.637 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 48.6 tp -65.4 -21.01 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.203 -0.908 . . . . 73.45 110.63 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.94 7.63 25.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.383 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' THR . 13.1 mm -90.33 171.98 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 62.21 108.943 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.7 p -71.71 -68.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -171.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.34 -75.79 0.03 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.274 -1.441 . . . . 61.34 114.545 -176.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 m-20 -108.45 139.92 42.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.801 0.301 . . . . 61.22 110.636 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 59' ' ' SER . 24.9 t70 -57.43 -63.94 1.06 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.947 0.721 . . . . 75.1 112.947 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.534 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -104.53 -19.1 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.969 -0.693 . . . . 73.34 111.301 -173.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.55 ' HB2' ' HD2' ' A' ' 88' ' ' LYS . 35.7 t70 -84.04 -26.72 28.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.244 0.545 . . . . 73.25 110.737 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 33.6 t70 -124.75 11.03 8.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.774 0.797 . . . . 73.13 109.884 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p 49.06 68.57 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.935 -1.03 . . . . 72.31 112.718 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 50' ' ' ILE . 19.8 m -109.0 9.8 26.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.336 -0.847 . . . . 71.44 109.147 174.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -52.35 -25.62 10.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.457 -1.247 . . . . 72.45 112.528 -178.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.83 41.29 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.341 . . . . 65.11 111.316 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -49.94 70.09 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.0 110.618 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 85.7 m-85 -73.58 -23.44 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.281 0.562 . . . . 65.31 110.375 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 67' ' ' VAL . 20.4 t70 -63.56 -49.57 72.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.251 -0.886 . . . . 70.14 110.438 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.7 ptmt -78.57 -15.76 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 72.31 111.028 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 63' ' ' PHE . 4.3 m-30 -62.87 -29.46 70.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.182 -0.207 . . . . 74.43 111.502 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 64' ' ' ASP . 17.3 m -61.79 -24.36 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.087 0.47 . . . . 64.11 110.284 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.46 -57.94 2.94 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.956 -0.566 . . . . 65.12 110.307 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -47.57 -41.62 21.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.993 -1.003 . . . . 65.04 110.355 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -54.64 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.383 -0.826 . . . . 53.44 111.661 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 16.9 pttm -74.29 -21.59 59.67 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 119.12 -1.032 . . . . 75.13 111.826 -166.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -57.31 -52.05 66.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.005 0.431 . . . . 42.41 110.42 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 73' ' ' ARG . 7.6 ppt_? -86.14 -5.19 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.511 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.573 ' HB ' ' HA ' ' A' ' 71' ' ' LYS . 54.2 m -83.07 -35.69 25.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.535 -0.302 . . . . 54.12 111.09 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 69.54 -80.91 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.026 0.75 . . . . 74.14 113.026 170.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.52 10.65 37.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 74.35 110.844 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 85.3 mt 66.65 28.36 9.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.483 0.659 . . . . 63.21 110.308 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -83.77 12.03 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.305 -0.861 . . . . 71.34 110.24 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 74' ' ' THR . 32.5 t70 -77.01 140.95 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 74.41 110.909 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.09 134.08 10.27 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.833 -0.803 . . . . 71.24 108.833 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.585 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 7.0 ptt180 -164.54 166.02 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.79 -174.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.614 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t80 -111.28 127.89 55.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.355 -0.98 . . . . 74.55 108.355 173.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -126.83 143.37 51.28 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.773 -0.371 . . . . 73.21 110.926 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.25 122.53 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.971 0.415 . . . . 74.52 110.46 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 105' ' ' ILE . 36.8 m-85 -136.3 121.48 19.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.799 -0.637 . . . . 64.4 109.708 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.743 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 t70 -86.39 99.1 11.38 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.192 -1.41 . . . . 65.33 107.192 168.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 145.15 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.069 -0.514 . . . . 73.32 109.864 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.912 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 7.2 pttt -124.14 153.75 41.06 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.403 0.62 . . . . 74.02 111.069 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.69 ' CD2' ' HG ' ' A' ' 155' ' ' LEU . 14.9 p90 -146.74 -175.82 4.95 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.513 -1.221 . . . . 65.34 108.739 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 p -128.41 130.5 47.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.087 0.47 . . . . 74.05 111.308 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.08 123.44 40.83 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.802 -0.814 . . . . 72.23 108.802 173.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 p -80.7 113.48 18.93 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.305 -0.407 . . . . 75.12 110.041 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.887 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 23.0 mtt180 -65.08 137.23 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.308 -0.627 . . . . 75.41 109.308 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.1 112.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 110.082 -0.34 . . . . 74.14 110.082 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.27 79.02 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.921 -0.581 . . . . 63.32 113.163 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 93' ' ' ARG . . . -146.66 -163.24 1.71 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.177 0.489 . . . . 74.31 111.064 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.59 -154.82 18.81 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.09 -0.576 . . . . 74.34 113.37 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -107.39 140.86 39.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.403 . . . . 53.3 111.23 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.9 m -117.42 117.12 28.61 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.527 -0.545 . . . . 75.24 109.527 173.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -76.21 148.45 37.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.45 -0.5 . . . . 73.23 109.681 177.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.24 128.64 14.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.331 0.586 . . . . 73.3 109.455 172.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.912 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 2.2 p-10 -123.87 143.81 50.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.764 -1.107 . . . . 73.45 110.596 -171.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -165.34 135.08 3.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.888 0.375 . . . . 74.43 110.744 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.9 tt -59.67 121.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.258 -0.883 . . . . 71.0 110.874 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 85' ' ' PHE . 32.1 pt -106.31 137.55 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 73.32 110.339 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.585 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 70.5 m-85 -101.51 109.54 21.38 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.52 -0.764 . . . . 73.0 109.935 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 31.9 tp -92.73 104.32 16.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 52.23 110.62 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.82 ' HB3' ' HG2' ' A' ' 142' ' ' GLN . 25.9 tp60 -100.82 100.64 11.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.556 -0.747 . . . . 71.3 109.387 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.2 mt -89.04 104.64 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 61.14 110.388 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 73.5 m -125.4 83.3 61.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 75.34 111.158 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.667 ' HA ' ' HB2' ' A' ' 144' ' ' SER . 4.8 Cg_endo -51.57 125.19 16.09 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.224 2.616 . . . . 71.52 111.693 174.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.73 -51.6 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.32 109.917 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.28 65.63 3.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.447 -0.661 . . . . 42.11 111.447 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -137.17 177.74 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.243 -0.281 . . . . 74.52 110.243 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -68.38 95.21 0.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 43.21 110.847 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.428 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 73.3 mt -56.28 -36.01 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.699 -0.682 . . . . 70.21 112.315 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -58.1 -55.41 35.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.605 -0.271 . . . . 71.03 111.69 -176.275 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 118' ' ' LYS . 19.2 ptmt -83.91 -23.04 31.37 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.787 -0.365 . . . . 74.21 110.859 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 37.4 ttpt -67.35 -35.75 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 73.32 109.7 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.669 -0.696 . . . . 75.0 109.639 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.18 -41.92 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 71.14 110.075 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 22.6 m-85 -67.39 -33.91 76.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.21 111.167 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.09 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.228 0.537 . . . . 53.23 110.298 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.4 m -74.24 -16.61 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 75.4 110.676 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.486 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.5 m -68.8 -29.63 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.938 -0.393 . . . . 60.42 109.938 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB2' ' OE1' ' A' ' 108' ' ' GLN . . . -61.83 -42.85 99.55 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.979 -0.555 . . . . 64.32 110.058 174.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.59 94.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.658 -0.701 . . . . 70.14 110.535 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.18 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 62.44 111.038 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -35.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 61.24 111.157 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -70.11 -38.64 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 64.04 110.368 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.3 m -73.73 -38.27 64.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.883 0.373 . . . . 73.12 111.348 -176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.5 p -69.07 -52.23 30.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.312 -0.404 . . . . 32.13 111.699 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.48 -27.54 24.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.629 -0.428 . . . . 60.4 111.685 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.7 47.55 52.29 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 121.113 -0.565 . . . . 63.15 112.515 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -67.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.937 0.347 . . . . 41.2 111.937 -173.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.49 -30.43 8.3 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.85 -0.69 . . . . 72.24 112.606 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -122.75 104.32 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.447 0.641 . . . . 62.54 109.855 175.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.85 166.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.672 -0.695 . . . . 74.23 112.017 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.67 HD11 ' HE3' ' A' ' 161' ' ' LYS . 2.9 mm? -120.79 99.54 6.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.174 -0.676 . . . . 72.31 109.174 168.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -109.9 113.44 26.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.581 -0.736 . . . . 60.24 109.72 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 107' ' ' LEU . 8.5 p90 -113.74 123.97 51.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.168 0.508 . . . . 73.21 109.921 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.82 ' HG2' ' HB3' ' A' ' 108' ' ' GLN . 76.0 mt-30 -99.28 107.61 19.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 61.3 110.287 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 149' ' ' MET . 34.8 m -114.78 162.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 75.12 110.391 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 111' ' ' PRO . 6.1 p -134.77 6.52 3.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.1 -0.5 . . . . 73.33 110.757 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -132.71 154.94 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.836 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -31.73 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 73.5 111.831 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -76.32 -25.71 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.061 0.458 . . . . 64.43 109.967 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.35 -21.75 49.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 74.51 111.356 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 143' ' ' VAL . 27.1 ptt? -102.81 13.31 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.161 0.505 . . . . 64.55 110.391 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.2 m -75.31 156.37 35.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 74.01 110.811 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 9.3 p80 -55.82 -37.13 68.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.54 0.57 . . . . 73.22 112.54 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -60.76 -39.76 89.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 71.11 110.513 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.554 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 72.7 mm-40 -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.828 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.95 -43.08 91.2 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.373 -0.603 . . . . 62.31 109.373 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.69 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 7.6 tt -64.35 -47.13 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.119 -0.946 . . . . 73.15 109.683 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.72 -53.64 56.13 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.988 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' ' 153' ' ' GLU . 10.0 mptt -54.8 -48.72 72.39 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.474 0.654 . . . . 73.23 111.462 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.553 ' HG ' ' HG ' ' A' ' 139' ' ' LEU . 5.3 tt -71.21 -36.57 71.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.254 -0.885 . . . . 72.31 110.722 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -79.79 -39.28 17.69 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.155 -0.545 . . . . 52.24 113.878 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -30.7 67.82 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.679 0.622 . . . . 72.32 112.679 -171.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD11 ' A' ' 139' ' ' LEU . 3.2 pptp? -72.7 -21.84 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 73.4 111.012 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 73.12 111.655 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.955 0.407 . . . . 75.24 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -124.89 17.49 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.176 0.512 . . . . 74.53 110.626 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.02 50.51 1.75 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 63.51 111.65 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 36' ' ' LYS . 57.6 t -60.6 123.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.708 -0.479 . . . . 72.34 109.708 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 93.6 mmm -100.63 169.43 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.23 0.538 . . . . 73.31 111.516 -173.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG12 ' CG1' ' A' ' 37' ' ' VAL . 30.2 m -117.85 120.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.382 -0.826 . . . . 75.31 108.972 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 143.17 87.02 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 120.896 -0.322 . . . . 75.32 110.471 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.3 -31.81 18.21 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.7 2.933 . . . . 74.53 113.835 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.23 -30.93 68.62 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.715 0.265 . . . . 65.24 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.73 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 72.44 110.352 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 52.9 mt-30 -64.17 -31.83 73.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 74.42 111.353 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -62.43 -43.37 98.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.898 0.38 . . . . 72.24 110.707 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 m -66.16 -36.84 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 23.23 110.192 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CD2' HD11 ' A' ' 133' ' ' LEU . 31.3 m-85 -63.62 -31.07 72.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.034 -0.53 . . . . 72.44 111.367 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 32.0 mm-40 -68.53 -55.19 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 72.23 110.64 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.643 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 18.6 ptmt -68.68 -21.49 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.575 -0.284 . . . . 72.03 111.628 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 23' ' ' LYS . 11.8 tp -65.66 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.428 -0.582 . . . . 75.44 109.428 169.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -68.37 -30.67 69.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.91 0.707 . . . . 65.23 112.91 -171.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 11.4 pt-20 -67.05 -34.1 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.944 0.72 . . . . 73.34 112.944 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.71 -8.72 0.21 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 119.222 -1.466 . . . . 73.1 114.621 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 3.6 mmp_? -109.37 -57.35 2.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.031 0.916 . . . . 64.34 111.619 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HD11 ' A' ' 18' ' ' LEU . 1.6 mtpm? 69.12 -73.45 0.09 Allowed 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.032 0.833 . . . . 73.13 111.268 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 88' ' ' LYS . 18.9 mp0 -98.38 21.25 11.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.79 0.329 . . . . 74.12 110.427 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 96.1 m-85 -134.69 138.68 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.122 -0.231 . . . . 73.41 110.883 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 17.3 mtp180 67.23 117.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.236 0.96 . . . . 64.12 110.675 -174.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 20.3 p90 -106.02 150.2 25.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.583 -178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.515 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.6 tp -108.74 123.19 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.368 0.604 . . . . 75.13 110.792 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.0 mm -115.02 133.88 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.292 -0.867 . . . . 72.41 109.175 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 37' ' ' VAL . 2.0 p90 -143.19 151.35 40.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.44 . . . . 54.12 111.641 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.3 mptm? -127.71 162.18 27.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 52.24 110.709 -177.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.486 HD13 ' HB ' ' A' ' 37' ' ' VAL . 32.8 mm -85.99 127.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 71.34 110.427 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.9 t70 -145.37 147.6 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.408 -0.59 . . . . 74.02 109.408 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 64.4 -81.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.448 0.467 . . . . 74.3 110.908 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -160.17 9.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.691 -0.686 . . . . 75.1 109.785 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.594 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -141.28 -178.17 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.42 109.662 -178.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.4 p -106.32 132.99 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.856 0.36 . . . . 71.32 110.925 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.594 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -119.24 164.79 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.326 -0.397 . . . . 55.41 110.429 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.6 134.54 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 62.02 111.39 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -102.76 -58.51 1.86 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 60.4 109.918 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.74 35.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 73.24 111.125 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -145.59 78.3 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.433 -0.803 . . . . 62.41 109.053 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.6 151.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.854 -0.612 . . . . 61.13 110.486 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -89.72 149.26 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.044 0.449 . . . . 63.22 110.999 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.795 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.9 pt20 -78.38 -18.8 54.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 72.45 110.969 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -69.15 -31.91 70.89 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.718 0.294 . . . . 73.11 110.906 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.4 pt20 -91.31 -18.32 24.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.304 0.573 . . . . 75.15 109.964 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.795 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 15.9 tp -65.64 -24.04 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.409 -0.814 . . . . 74.54 111.036 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.51 -3.17 6.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.818 -0.706 . . . . 64.14 111.99 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG22 ' H ' ' A' ' 51' ' ' THR . 8.4 mm -98.94 169.37 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.899 -0.778 . . . . 44.21 108.899 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.509 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.29 -55.58 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.434 0.531 . . . . 75.42 112.434 -177.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.34 -66.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.414 -1.374 . . . . 73.23 114.379 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -77.52 134.97 38.18 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.895 0.379 . . . . 72.03 111.719 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.591 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 17.6 t70 -56.14 -60.76 3.03 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.765 -0.652 . . . . 72.43 112.75 -174.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.754 ' HB2' ' HA ' ' A' ' 89' ' ' PHE . 25.0 t80 -101.86 -36.61 8.59 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.208 -0.597 . . . . 70.34 111.342 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.09 -27.42 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.224 0.535 . . . . 73.21 110.21 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.1 5.63 7.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 53.33 110.581 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m 53.04 33.03 13.97 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.912 -0.585 . . . . 75.31 111.682 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.531 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 70.5 m -68.22 -10.22 52.88 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.429 0.529 . . . . 43.53 112.429 -174.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.621 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -59.0 -22.68 61.03 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.44 -0.578 . . . . 75.33 109.44 172.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 151' ' ' HIS . . . -48.22 -22.05 0.6 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.687 -0.688 . . . . 65.4 111.877 173.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -51.71 -32.36 29.92 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.694 0.283 . . . . 70.31 111.181 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 67' ' ' VAL . 63.7 m-85 -67.96 -23.21 65.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.619 0.247 . . . . 73.32 111.392 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.49 -42.95 97.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.055 0.455 . . . . 64.41 110.499 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptmt -84.92 -16.32 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.556 . . . . 71.32 110.873 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.556 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 9.5 m-85 -80.39 -21.22 42.51 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.107 -0.237 . . . . 72.34 111.19 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' PHE . 89.7 t -58.73 -37.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.418 -0.586 . . . . 61.21 109.418 170.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -66.77 -36.72 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.384 -0.826 . . . . 73.34 110.37 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.88 -51.92 67.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.1 0.476 . . . . 72.12 110.079 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 66' ' ' PHE . 60.0 t -56.21 -59.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.188 -0.915 . . . . 63.42 111.307 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -24.83 67.52 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 74.32 112.318 -173.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.3 m -76.41 -41.68 46.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.003 -0.279 . . . . 64.42 110.999 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -86.55 -8.45 57.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.352 . . . . 74.5 111.721 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 p -98.13 -68.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.665 -0.414 . . . . 73.34 111.837 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.11 -69.88 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.952 0.782 . . . . 74.34 109.348 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -113.42 98.42 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.65 -1.241 . . . . 43.42 107.65 167.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 77' ' ' LEU . 1.9 pt? -49.28 100.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.781 0.8 . . . . 71.54 112.874 -169.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.8 m -120.22 -5.42 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.127 -0.942 . . . . 74.31 109.052 174.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.28 142.2 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.921 -1.036 . . . . 73.21 110.096 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.634 ' SG ' ' HE2' ' A' ' 118' ' ' LYS . 9.8 p -155.42 144.5 20.81 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.302 -0.629 . . . . 72.14 109.302 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -147.75 166.87 26.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.673 -0.239 . . . . 74.14 110.959 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.3 t80 -115.91 130.56 56.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 73.42 109.306 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.47 51.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.46 -0.336 . . . . 62.43 110.84 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 15' ' ' PHE . 92.5 t -133.52 134.52 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.529 -0.305 . . . . 72.14 110.714 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -139.35 140.85 37.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.03 110.097 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.638 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 7.4 t70 -100.94 99.62 10.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.133 -1.062 . . . . 72.15 108.133 169.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.57 132.68 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.696 -0.683 . . . . 63.52 111.835 -175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 31.7 ttmt -104.86 108.75 20.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 71.4 109.802 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.754 ' HA ' ' HB2' ' A' ' 55' ' ' TYR . 7.3 p90 -119.74 -172.6 2.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.666 -0.494 . . . . 64.2 109.666 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 23.3 p -106.87 134.01 50.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 64.21 110.652 175.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.24 112.76 24.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.384 -0.598 . . . . 74.11 109.384 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.646 ' HA ' HG22 ' A' ' 98' ' ' THR . 14.8 m -70.45 108.1 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.697 -0.683 . . . . 74.04 110.822 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -99.08 120.82 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 75.5 110.359 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.07 121.27 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 74.44 110.984 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.87 -2.46 76.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.015 -0.612 . . . . 33.14 111.974 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.87 -159.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.595 0.236 . . . . 72.44 110.404 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.13 166.8 12.73 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.927 -0.654 . . . . 75.12 111.659 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.4 p -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.757 0.313 . . . . 72.14 110.883 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -100.13 135.6 41.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.358 -0.383 . . . . 71.12 110.224 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.6 mtmt -71.25 130.97 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.414 0.626 . . . . 64.11 111.234 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.5 ttt -143.6 131.82 21.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.972 -1.013 . . . . 74.34 109.668 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.602 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.3 p30 -104.51 146.43 28.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.014 -0.539 . . . . 73.21 110.962 -177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -167.19 155.11 9.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.809 0.814 . . . . 72.43 112.51 166.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.686 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 3.7 tt -85.88 138.04 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.372 -1.286 . . . . 74.04 112.305 -171.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.796 HG22 ' HB2' ' A' ' 139' ' ' LEU . 38.2 pt -125.44 153.09 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 71.32 110.712 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.464 ' HB2' ' HG2' ' A' ' 140' ' ' GLN . 60.2 m-85 -103.46 110.65 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.138 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.7 102.52 15.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 73.34 109.872 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.729 HE22 ' HB2' ' A' ' 126' ' ' ALA . 34.5 tt0 -113.62 116.02 28.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 70.02 110.961 173.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -99.23 103.05 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.472 0.654 . . . . 63.21 110.031 171.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.4 p -122.7 96.78 45.08 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.526 -0.761 . . . . 44.03 110.297 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.902 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 35.5 Cg_exo -60.66 142.21 97.21 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.925 2.416 . . . . 65.1 112.379 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.43 -56.99 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 50.44 110.12 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.0 62.17 4.23 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.906 -0.588 . . . . 64.11 111.889 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.902 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -119.81 175.69 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.888 0.375 . . . . 63.51 110.89 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 m -65.51 103.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 74.04 110.583 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.89 -34.2 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.675 0.609 . . . . 74.23 111.815 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.5 mttm -52.36 -60.63 2.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.625 -0.261 . . . . 62.12 111.462 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.634 ' HE2' ' SG ' ' A' ' 80' ' ' CYS . 20.2 ptmt -83.5 -27.06 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 54.24 110.876 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.49 -37.46 86.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.807 -0.633 . . . . 74.31 110.97 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -35.17 61.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 73.32 110.241 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 117' ' ' LYS . 64.7 t -64.11 -38.16 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.886 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.421 ' HA ' ' OG ' ' A' ' 125' ' ' SER . 14.2 m-85 -66.4 -36.56 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.668 0.271 . . . . 73.31 110.824 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.85 68.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 63.22 110.342 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -80.34 -43.13 21.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.749 -0.66 . . . . 72.3 110.948 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.452 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -70.64 -19.39 62.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 64.24 111.36 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.729 ' HB2' HE22 ' A' ' 108' ' ' GLN . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.171 0.51 . . . . 73.21 110.351 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.44 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 63.41 110.678 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.66 59.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.125 -0.488 . . . . 75.41 111.179 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.5 tp -61.94 -35.54 68.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.336 -0.393 . . . . 53.12 110.826 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -79.04 -25.74 43.2 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.009 -0.277 . . . . 72.43 111.095 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.3 m -79.7 -30.07 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.54 . . . . 73.14 110.145 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.6 m -72.33 -30.72 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 64.25 111.006 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 15' ' ' PHE . 10.2 mp -100.64 -25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.071 0.397 . . . . 71.12 112.071 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.69 -106.01 0.87 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.856 -0.688 . . . . 65.32 111.505 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 137' ' ' LYS . 20.2 m 62.2 -73.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.264 0.626 . . . . 71.55 112.569 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.39 -30.15 9.66 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.652 -0.579 . . . . 43.4 111.652 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 135' ' ' THR . 15.2 tppt? -87.51 71.28 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.583 -0.525 . . . . 63.11 109.583 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.552 HG22 HG23 ' A' ' 104' ' ' ILE . 2.4 pp -145.49 153.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.762 -0.653 . . . . 45.12 110.687 -177.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.796 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.2 mm? -121.85 104.37 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.106 0.479 . . . . 64.12 110.413 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.464 ' HG2' ' HB2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -97.85 106.5 18.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.126 -0.694 . . . . 72.25 109.126 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 105' ' ' ILE . 33.9 p90 -102.41 128.72 48.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.246 -0.434 . . . . 63.24 110.054 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -99.56 103.18 14.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.245 0.545 . . . . 73.53 110.702 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.756 HG23 HG22 ' A' ' 109' ' ' ILE . 30.7 m -117.47 171.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.417 -0.81 . . . . 74.43 109.943 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 111' ' ' PRO . 4.8 p -132.68 -41.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.477 0.547 . . . . 74.13 112.477 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -93.84 159.02 15.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 71.41 111.327 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' HB2' HG13 ' A' ' 67' ' ' VAL . 4.9 pt-20 -56.34 -34.34 66.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.595 -0.73 . . . . 75.4 111.637 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.1 m -68.95 -22.26 64.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.845 0.355 . . . . 64.31 110.905 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.602 ' CB ' ' HB ' ' A' ' 143' ' ' VAL . 52.7 mt-10 -87.37 -16.59 34.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.057 0.456 . . . . 73.4 111.139 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -105.51 13.06 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.468 0.652 . . . . 75.31 109.826 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.6 m -77.25 161.22 28.3 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.136 -0.938 . . . . 75.14 110.695 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 60' ' ' LYS . 3.3 p80 -63.44 -24.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.477 0.918 . . . . 72.32 113.477 -171.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -60.27 -60.11 4.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.468 0.544 . . . . 71.25 112.468 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 148' ' ' GLU . 10.5 pt-20 -77.85 -18.03 56.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.213 -0.595 . . . . 75.54 112.512 -170.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.4 -38.52 71.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.464 -0.569 . . . . 73.02 109.464 172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.625 HD11 ' HE2' ' A' ' 55' ' ' TYR . 6.3 tt -68.15 -49.93 57.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.4 -0.818 . . . . 73.43 109.47 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.673 ' O ' ' HG3' ' A' ' 160' ' ' GLU . 48.5 t30 -58.41 -58.13 9.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 75.34 111.338 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -20.81 65.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.436 0.532 . . . . 64.33 112.436 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.41 HD13 ' CG2' ' A' ' 105' ' ' ILE . 27.3 tp -82.69 -29.65 29.75 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.603 -0.439 . . . . 55.32 110.086 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.33 -35.24 5.31 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.6 -0.81 . . . . 51.55 115.029 -171.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.717 ' OE2' ' HG3' ' A' ' 161' ' ' LYS . 0.0 OUTLIER -50.25 -62.39 1.61 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.505 1.298 . . . . 41.13 114.505 -165.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.717 ' HG3' ' OE2' ' A' ' 160' ' ' GLU . 0.2 OUTLIER -64.28 -25.0 67.86 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.223 0.823 . . . . 64.45 113.223 -172.366 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.516 ' N ' ' HD2' ' A' ' 161' ' ' LYS . 11.0 m-85 . . . . . 0 C--N 1.327 -0.407 0 C-N-CA 120.571 -0.452 . . . . 70.0 111.156 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.601 0.715 . . . . 62.11 109.785 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -93.6 10.88 30.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.101 -0.954 . . . . 53.21 110.706 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.17 158.28 16.72 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.046 -0.597 . . . . 73.32 112.03 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.42 147.05 23.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.65 -0.5 . . . . 54.22 109.65 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.1 mmm -99.76 164.56 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.959 -0.386 . . . . 73.31 109.959 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 HG13 ' A' ' 37' ' ' VAL . 6.2 p -129.32 132.2 66.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.668 0.27 . . . . 64.53 110.946 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.28 127.22 89.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 73.24 109.877 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.78 -29.01 79.16 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.152 2.568 . . . . 74.23 113.872 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -74.34 -3.76 32.26 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.798 0.295 . . . . 75.23 111.798 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.634 HG13 ' HE1' ' A' ' 30' ' ' PHE . 19.3 t -59.01 -46.07 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.999 0.428 . . . . 61.02 109.944 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.2 -38.57 88.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 72.45 110.369 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 m -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 65.23 110.622 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 m -76.49 -30.26 57.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 64.4 111.392 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 133' ' ' LEU . 84.7 t80 -64.9 -44.4 89.74 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.878 0.371 . . . . 72.45 110.919 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 19' ' ' SER . 16.0 mm100 -61.46 -27.97 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.54 111.382 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 33.9 ttmt -56.52 -41.16 76.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.599 -0.728 . . . . 62.11 111.65 -174.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 27' ' ' TYR . 2.1 pt? -100.1 -28.16 13.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.295 -0.562 . . . . 75.12 110.598 175.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' GLN . 15.1 t -59.14 -45.07 91.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.203 -0.453 . . . . 52.35 112.141 -173.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.26 1.72 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.309 -0.556 . . . . 74.13 110.782 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.17 -135.03 7.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.74 -0.743 . . . . 62.41 112.111 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 62.5 mmt-85 -74.06 -6.68 49.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.519 0.192 . . . . 75.51 111.519 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.1 mppt? 69.61 -54.86 0.59 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.708 0.63 . . . . 73.11 110.801 -172.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 53' ' ' ASP . 43.2 mt-10 -80.13 14.91 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.497 0.665 . . . . 74.42 110.0 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' C ' ' HB ' ' A' ' 44' ' ' THR . 11.8 t80 -71.29 -179.4 2.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.344 -0.844 . . . . 63.25 108.772 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 29.6 ptt180 -57.91 121.09 9.7 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.255 -0.578 . . . . 75.12 111.106 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -98.9 179.21 4.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.725 -0.67 . . . . 71.31 111.379 -173.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' CD1' HG23 ' A' ' 39' ' ' VAL . 5.7 tp -107.21 130.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.222 -0.899 . . . . 71.53 112.195 -166.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.706 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 37.7 mm -112.02 130.12 66.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.448 -0.796 . . . . 74.22 109.573 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.776 ' HE2' HG23 ' A' ' 84' ' ' VAL . 92.2 m-85 -106.8 137.93 43.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 74.54 111.65 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -129.37 158.19 39.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 53.24 109.817 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 37' ' ' VAL . 33.3 mm -102.97 125.09 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.81 0.338 . . . . 70.51 110.704 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 20.5 t70 -122.87 127.0 48.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 73.24 109.621 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 66.06 -75.83 0.05 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.851 0.72 . . . . 65.31 111.005 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -163.8 19.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 72.13 110.845 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -139.8 156.22 46.86 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.916 -0.314 . . . . 61.21 110.319 178.153 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' HD13 ' A' ' 32' ' ' ILE . 7.1 p -87.75 133.82 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.903 0.382 . . . . 63.12 110.749 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.63 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.1 pt -122.84 156.25 28.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.102 0.477 . . . . 54.04 111.884 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 28' ' ' ILE . 1.5 p -84.24 109.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.397 -0.82 . . . . 71.33 109.841 172.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.87 -38.54 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.198 -0.456 . . . . 74.31 111.221 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -134.57 127.99 32.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.129 0.49 . . . . 52.42 111.802 -174.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.43 95.53 4.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.194 -0.912 . . . . 31.45 108.911 171.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.75 135.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.042 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.798 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 6.3 t -98.98 160.23 14.41 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.146 -0.687 . . . . 53.34 109.146 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HB2' HG13 ' A' ' 50' ' ' ILE . 27.0 pt20 -67.43 -26.75 66.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.225 0.536 . . . . 63.41 109.975 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.98 -52.04 64.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.464 -0.789 . . . . 63.44 111.35 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -75.09 -17.8 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 65.31 111.998 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.6 pp -91.5 -14.02 31.15 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.629 -0.428 . . . . 71.13 111.481 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.63 38.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.128 -1.034 . . . . 75.33 113.576 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.7 mm -122.1 159.58 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.164 -0.68 . . . . 60.14 109.164 177.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -65.99 -73.15 0.14 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.223 0.453 . . . . 75.44 112.223 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.02 -108.33 0.21 Allowed Glycine 0 CA--C 1.522 0.494 0 C-N-CA 119.403 -1.38 . . . . 73.25 114.474 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' OE2' ' A' ' 24' ' ' GLU . 3.2 m-20 -59.99 138.22 57.9 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.115 0.566 . . . . 71.31 112.413 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -49.35 -62.62 1.44 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 62.05 112.935 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.886 ' HD1' ' HE2' ' A' ' 60' ' ' LYS . 37.2 t80 -120.64 -23.4 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.857 -0.337 . . . . 75.02 110.56 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.93 -28.55 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.288 0.566 . . . . 65.02 110.086 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' SER . 17.7 t70 -118.72 -21.59 7.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.469 -0.787 . . . . 62.21 109.923 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 75.6 m 76.32 94.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.949 0.9 . . . . 42.13 111.123 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 50' ' ' ILE . 36.9 p -134.88 -19.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.524 -0.762 . . . . 42.04 112.144 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.886 ' HE2' ' HD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -51.79 -21.42 2.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.397 0.279 . . . . 70.23 111.533 -179.022 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HA ' ' NE2' ' A' ' 151' ' ' HIS . . . -42.79 -26.87 0.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.955 0.502 . . . . 73.45 112.15 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.45 -33.52 63.69 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.62 0.368 . . . . 72.42 111.685 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 67' ' ' VAL . 66.1 m-85 -64.44 -25.51 68.04 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.303 -0.248 . . . . 73.34 111.334 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.77 -37.04 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 73.52 111.182 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 18.4 ptmt -87.63 -30.56 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.479 -0.328 . . . . 64.22 110.919 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.18 -36.28 69.21 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.101 0.408 . . . . 70.52 112.101 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 31.2 m -60.08 -37.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.951 0.405 . . . . 74.02 110.58 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.52 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 1.9 mt-10 -79.0 -35.28 43.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 74.24 110.174 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 8.0 t70 -53.33 -52.75 58.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 72.22 109.634 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.86 -44.97 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.335 -0.848 . . . . 60.14 112.075 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.52 -20.74 60.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.523 -0.471 . . . . 72.0 112.022 -173.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 m -73.75 -44.3 56.61 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.961 -0.295 . . . . 55.23 111.102 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -84.16 -6.74 59.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.395 0.517 . . . . 74.31 112.395 -176.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.731 ' HB ' ' HA ' ' A' ' 78' ' ' THR . 6.4 p -88.41 -12.49 43.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.362 . . . . 74.25 110.403 174.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t70 64.84 -81.2 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.063 -0.971 . . . . 75.41 112.242 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -154.1 -34.13 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 72.04 110.229 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.66 -29.09 69.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.28 -0.418 . . . . 63.11 110.512 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.731 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 19.5 m 61.27 94.62 0.04 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 124.036 0.835 . . . . 72.34 112.556 173.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -80.1 146.56 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 72.41 108.911 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.707 ' SG ' ' HG3' ' A' ' 119' ' ' LYS . 29.5 m -91.1 151.62 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.87 0.367 . . . . 75.22 110.667 -174.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.843 ' HB2' HD12 ' A' ' 109' ' ' ILE . 2.4 mmp_? -126.23 145.94 50.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.12 -0.326 . . . . 74.42 110.12 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.664 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -128.95 144.63 51.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.406 -0.961 . . . . 64.43 108.406 172.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.62 163.06 21.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.658 0.266 . . . . 71.52 110.787 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.776 HG23 ' HE2' ' A' ' 30' ' ' PHE . 39.8 t -129.56 123.83 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 71.42 109.777 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -130.12 146.48 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.995 -0.372 . . . . 62.44 109.995 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.776 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 12.4 t70 -101.1 103.98 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.294 -0.632 . . . . 74.33 109.294 170.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 105' ' ' ILE . 66.0 m-85 -92.32 113.76 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 55.23 111.053 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -91.22 108.55 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 72.54 109.566 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.801 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 10.5 p90 -128.0 177.1 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.257 -0.428 . . . . 72.34 110.254 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 41.5 p -115.34 123.28 48.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.991 0.424 . . . . 71.04 110.077 177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 30.8 t -97.12 139.3 33.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.327 -0.397 . . . . 54.33 110.264 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 m -72.58 101.48 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 71.2 110.793 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -81.31 118.74 22.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.298 -0.63 . . . . 75.24 109.298 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 113.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 73.22 111.138 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.01 -7.11 62.43 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.851 -0.613 . . . . 74.42 112.04 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.78 -161.18 1.11 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.827 0.346 . . . . 71.32 110.438 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.78 -164.02 30.21 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.847 -0.692 . . . . 74.23 112.678 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.8 p -75.34 118.11 17.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.21 0.529 . . . . 52.42 111.065 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' THR . 20.0 m -85.99 123.77 31.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 55.05 110.199 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.58 ' HD3' HG22 ' A' ' 90' ' ' THR . 1.7 mppt? -72.93 110.19 7.05 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.167 0.508 . . . . 65.15 110.131 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.3 mtt -117.63 107.44 14.23 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.412 -0.813 . . . . 71.34 110.786 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -95.54 128.33 42.31 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.455 -0.793 . . . . 72.42 108.878 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 1.027 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -157.66 110.69 2.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.404 -0.518 . . . . 74.15 111.429 -176.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 18.8 tt -71.47 125.22 29.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 63.52 110.143 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 158' ' ' LEU . 20.7 pt -130.8 157.58 43.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.183 0.516 . . . . 71.23 111.931 -175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 138' ' ' ILE . 13.7 m-85 -95.97 128.87 43.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.068 -0.969 . . . . 73.5 111.369 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD21 HG13 ' A' ' 109' ' ' ILE . 6.5 tt -103.61 114.76 29.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.307 -0.861 . . . . 54.24 110.653 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.732 HE21 ' HB2' ' A' ' 110' ' ' CYS . 39.9 tp60 -110.55 108.08 17.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.549 . . . . 73.13 110.253 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.843 HD12 ' HB2' ' A' ' 81' ' ' ARG . 53.5 mt -87.38 105.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 64.43 109.669 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.732 ' HB2' HE21 ' A' ' 108' ' ' GLN . 22.3 t -125.49 90.04 51.4 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.937 -0.574 . . . . 73.14 109.919 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 110' ' ' CYS . 28.4 Cg_endo -65.42 175.29 4.3 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.06 2.507 . . . . 71.34 112.488 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.63 -55.84 2.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.639 -0.504 . . . . 62.25 109.639 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.08 61.07 4.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.306 -0.718 . . . . 74.32 111.306 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.81 178.85 6.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.543 -0.328 . . . . 75.55 110.354 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 26.4 m -68.82 88.61 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.019 -0.537 . . . . 74.24 110.363 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 84.8 mt -58.04 -32.35 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 71.12 112.333 -174.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.38 -50.47 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.629 0.233 . . . . 64.12 111.629 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HE2' ' HE2' ' A' ' 122' ' ' TYR . 18.9 ptmt -86.02 -21.35 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.214 -0.595 . . . . 60.24 110.275 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HG3' ' SG ' ' A' ' 80' ' ' CYS . 19.4 ttpp -63.85 -36.25 83.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.448 -0.575 . . . . 65.52 109.448 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -64.22 -37.27 86.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.2 -0.909 . . . . 72.31 109.688 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.74 -48.23 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 73.32 110.131 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.537 ' HE2' ' HE2' ' A' ' 118' ' ' LYS . 65.9 m-85 -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.243 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.07 80.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 70.44 110.83 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -75.14 -33.36 61.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.905 -0.589 . . . . 75.42 110.241 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.4 m -68.14 -27.83 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 60.41 110.976 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -57.99 -34.45 70.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.264 -0.426 . . . . 51.41 110.748 177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.45 -43.64 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 74.34 110.611 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.46 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.329 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.058 -0.519 . . . . 63.1 111.005 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 126' ' ' ALA . 7.0 ptmt -73.35 -26.82 61.18 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.67 -0.412 . . . . 75.22 110.766 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 46.2 m -74.3 -30.79 62.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.064 0.459 . . . . 72.33 110.08 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.3 t -68.6 -47.54 66.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 73.22 111.098 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 11' ' ' VAL . 48.0 mt -91.8 -28.3 17.44 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.68 -0.408 . . . . 61.31 111.171 -176.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 -80.6 0.16 Allowed Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.936 -0.575 . . . . 64.41 112.944 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.476 HG21 HG23 ' A' ' 138' ' ' ILE . 9.0 m 58.67 -77.81 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.886 0.875 . . . . 72.44 112.305 -174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.54 -30.89 8.1 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.262 -0.494 . . . . 62.53 112.259 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.44 ' H ' HG22 ' A' ' 135' ' ' THR . 15.9 tppt? -102.39 70.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.234 -0.654 . . . . 74.23 109.234 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.635 HG21 ' CE1' ' A' ' 106' ' ' PHE . 7.6 pt -143.06 157.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.569 -0.741 . . . . 74.2 111.36 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.542 ' H ' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -118.73 98.41 6.21 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.15 -1.055 . . . . 74.22 108.15 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.43 105.95 18.16 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.36 -0.607 . . . . 70.34 109.36 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.49 ' HD1' HG13 ' A' ' 143' ' ' VAL . 51.8 p90 -104.13 148.34 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 74.44 111.125 -176.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -110.58 117.78 34.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 73.1 110.047 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' A' ' 141' ' ' PHE . 29.9 m -111.71 134.77 53.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.37 -0.377 . . . . 72.42 110.429 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.5 m -108.96 -3.26 17.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.89 0.376 . . . . 72.03 110.963 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -150.53 157.46 43.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.419 . . . . 71.12 110.532 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 6.4 pt-20 -64.28 -26.47 68.51 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 123.264 0.353 . . . . 52.42 111.179 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.2 t -67.51 -23.77 65.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.317 . . . . 70.15 110.553 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.625 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 42.8 mt-10 -83.96 -8.0 59.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 73.14 111.348 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.32 21.61 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.692 0.758 . . . . 74.33 109.815 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -81.62 170.73 15.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.014 -0.994 . . . . 54.02 110.964 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.476 ' NE2' ' HA ' ' A' ' 61' ' ' ALA . 62.4 m80 -41.97 -55.77 3.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.47 0.708 . . . . 74.34 112.283 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.63 -54.53 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 74.25 112.399 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.625 ' HG3' ' HA ' ' A' ' 148' ' ' GLU . 82.0 mm-40 -57.08 -43.48 82.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.047 0.758 . . . . 74.45 113.047 -168.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.52 -42.64 99.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.723 -0.391 . . . . 65.12 110.481 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.23 -36.29 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 74.1 110.013 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.2 -52.54 61.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 65.23 110.415 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -60.7 -52.31 65.66 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.613 0.721 . . . . 70.33 110.909 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.2 tp -71.24 -10.26 59.46 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.661 -1.154 . . . . 64.31 111.389 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.27 -48.2 2.88 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.636 -0.793 . . . . 71.23 112.867 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.67 -15.68 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.543 0.942 . . . . 51.25 113.543 -171.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.867 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -65.41 -30.33 71.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.953 0.406 . . . . 43.22 110.952 -177.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.867 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.565 174.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.313 0.578 . . . . 75.01 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -83.83 9.05 12.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.725 -0.671 . . . . 41.43 109.535 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 174.24 38.15 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.546 -0.752 . . . . 70.41 111.43 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.755 HG11 ' HB3' ' A' ' 125' ' ' SER . 98.0 t -119.34 150.21 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.981 -0.748 . . . . 52.55 108.981 174.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.646 ' HB2' ' HB2' ' A' ' 36' ' ' LYS . 47.2 mtt -98.13 156.2 16.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.242 -0.651 . . . . 71.21 109.242 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 37' ' ' VAL . 6.3 p -138.61 123.84 22.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.846 0.355 . . . . 72.34 111.118 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 128.47 93.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.514 -0.55 . . . . 71.24 109.514 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.89 -15.99 29.76 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.11 2.54 . . . . 70.02 113.628 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.88 -21.41 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.949 0.404 . . . . 74.21 110.741 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 129' ' ' ILE . 99.7 t -60.19 -44.74 96.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.813 -0.44 . . . . 74.31 109.813 174.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.0 mt-30 -67.2 -37.32 83.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 72.5 110.309 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -59.79 -35.4 74.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.243 0.544 . . . . 73.34 110.127 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.683 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . 49.5 m -69.69 -30.45 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.661 -0.699 . . . . 54.14 110.624 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HE1' HG11 ' A' ' 84' ' ' VAL . 45.5 m-85 -73.99 -36.01 64.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.086 0.469 . . . . 72.42 110.293 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 15.5 mm100 -67.68 -41.65 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 62.42 111.428 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.683 ' CD ' ' HA ' ' A' ' 14' ' ' SER . 16.0 ptmt -67.48 -23.59 65.5 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.876 0.369 . . . . 71.41 111.271 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 5.8 tt -78.58 -39.81 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.364 -0.606 . . . . 55.34 109.364 173.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -65.23 -31.14 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.396 -0.82 . . . . 71.44 111.209 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 54.8 mt-10 -57.58 -41.74 81.74 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.36 0.6 . . . . 62.15 110.104 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.18 -115.96 0.47 Allowed Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.215 -0.902 . . . . 74.44 112.961 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.0 mmt180 -113.43 -4.52 13.59 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.183 0.438 . . . . 75.44 112.183 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 10.0 mtmp? 75.15 -55.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.936 0.772 . . . . 71.22 109.746 -164.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.584 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 4.0 mp0 -71.18 2.18 4.97 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.357 0.599 . . . . 72.12 110.483 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.6 t80 -98.69 124.74 43.71 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.605 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 47.8 mtt180 71.27 160.71 0.22 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.921 0.763 . . . . 65.33 111.979 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -138.49 144.91 40.23 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.297 -0.865 . . . . 72.01 109.176 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.696 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.7 tp -110.14 123.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.437 0.637 . . . . 71.04 111.195 -172.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 mm -115.26 132.95 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.086 -0.961 . . . . 73.02 108.949 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.516 ' HA ' ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -139.83 152.19 46.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.226 0.536 . . . . 75.51 111.706 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.867 ' HE3' ' HB3' ' A' ' 81' ' ' ARG . 1.9 tptm -122.62 164.68 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.266 -0.879 . . . . 75.54 110.439 -171.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG11 ' A' ' 121' ' ' VAL . 28.4 mm -94.9 121.86 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.968 0.413 . . . . 64.55 110.501 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 30.4 t70 -112.47 116.81 30.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.893 -0.594 . . . . 61.22 109.407 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 64.11 -82.61 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.672 0.608 . . . . 71.24 110.614 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.41 20.19 0.84 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.75 0.309 . . . . 74.41 110.572 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.707 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -137.33 159.58 41.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.06 0.457 . . . . 70.41 111.07 177.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HB ' HG23 ' A' ' 7' ' ' VAL . 30.0 t -87.37 129.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 72.21 111.134 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.707 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.5 pt -127.19 149.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 62.11 110.0 175.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 6.2 p -67.11 131.8 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.723 0.297 . . . . 61.24 110.409 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' H ' ' HA ' ' A' ' 30' ' ' PHE . 31.2 tt0 -99.48 -47.42 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.134 -0.321 . . . . 75.44 110.134 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.53 142.15 22.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.758 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.64 80.52 1.81 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.18 0.514 . . . . 73.43 109.921 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -129.51 161.5 38.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 44.2 110.55 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 6.4 t -105.03 158.19 16.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.893 0.377 . . . . 72.12 110.515 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.402 ' HB2' HG13 ' A' ' 50' ' ' ILE . 8.1 pt20 -79.29 -24.2 43.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.316 -0.402 . . . . 72.21 110.488 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.79 -17.53 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.601 -0.272 . . . . 72.31 111.262 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 44' ' ' THR . 11.1 pt20 -86.93 -33.4 19.7 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.979 -0.288 . . . . 72.11 111.218 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 HG12 ' A' ' 50' ' ' ILE . 4.4 pp -81.15 -29.2 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.877 -0.329 . . . . 74.12 111.095 -174.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.57 45.81 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.216 -0.992 . . . . 71.32 113.03 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' ' 59' ' ' SER . 48.4 mm -116.56 153.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.189 -0.671 . . . . 74.02 109.189 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -66.29 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.915 0.709 . . . . 62.01 112.915 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.71 -86.31 0.08 OUTLIER Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.48 -0.867 . . . . 63.53 112.006 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 19.3 m-20 -73.52 121.9 21.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.705 -0.85 . . . . 64.12 108.705 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 59' ' ' SER . 18.0 t70 -48.83 -65.32 0.59 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.342 0.867 . . . . 64.5 113.342 -166.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.043 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 36.7 t80 -96.07 -28.82 14.43 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.472 -0.767 . . . . 73.41 111.168 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.68 -37.03 76.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.658 -0.247 . . . . 65.01 111.376 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 57.5 m-20 -85.06 17.93 2.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.544 0.211 . . . . 74.34 110.637 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.2 p 52.78 36.39 21.19 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.679 0.792 . . . . 71.31 111.117 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 3.9 m -90.91 12.22 20.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 62.24 110.254 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.28 10.43 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.853 -0.612 . . . . 53.32 111.395 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.61 -26.93 5.94 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.187 -0.461 . . . . 71.5 111.176 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -59.45 -52.68 64.57 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.52 -0.309 . . . . 65.22 110.3 175.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.434 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 36.0 m-85 -69.74 -28.27 65.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 71.25 110.408 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.2 t70 -68.17 -35.81 78.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.576 -0.738 . . . . 52.53 110.582 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 20.5 ptmt -86.73 -20.76 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.552 -0.294 . . . . 52.04 111.098 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -63.71 -28.91 70.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.559 0.219 . . . . 74.33 111.093 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.966 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 8.8 m -63.22 -27.46 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 70.31 110.258 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 17.4 mt-10 -81.51 -38.11 26.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.781 -0.451 . . . . 54.32 109.781 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.24 -43.44 64.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.033 -0.53 . . . . 62.21 110.231 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 149' ' ' MET . 96.3 t -65.73 -61.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.399 -0.819 . . . . 65.2 111.234 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 57.0 pttt -66.05 -20.82 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.524 0.565 . . . . 73.31 112.524 -172.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.9 t -65.45 -56.89 9.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.159 -0.216 . . . . 41.0 111.067 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -86.01 -17.47 35.17 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.457 0.539 . . . . 75.24 112.457 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.849 HG22 ' HB3' ' A' ' 79' ' ' ASP . 12.1 p -70.62 -25.27 62.95 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 74.53 111.914 -176.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 74' ' ' THR . 15.5 t70 68.88 -64.96 0.3 Allowed 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.775 0.672 . . . . 73.24 110.281 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -145.47 61.74 1.28 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.347 -0.612 . . . . 73.55 109.347 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt 53.08 33.94 16.1 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.528 -0.76 . . . . 74.1 111.953 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -82.63 -31.05 28.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.85 0.357 . . . . 64.41 110.837 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' HG22 ' A' ' 74' ' ' THR . 7.6 t70 -77.85 141.8 38.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.479 . . . . 61.34 110.305 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.75 136.19 19.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.784 -0.821 . . . . 65.33 108.784 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.867 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 4.7 ptt180 -156.32 177.13 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.186 0.517 . . . . 73.15 112.119 -171.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -110.42 128.49 55.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.062 -0.972 . . . . 71.24 110.157 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' CE1' ' A' ' 85' ' ' PHE . . . -128.7 129.84 46.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.992 -0.549 . . . . 73.42 109.628 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.71 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.1 t -122.7 122.11 65.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 120.873 0.368 . . . . 74.41 110.183 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 48.0 m-85 -128.62 134.37 48.55 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.653 -0.703 . . . . 73.23 109.388 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.4 t70 -94.23 98.3 10.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.683 -1.599 . . . . 74.33 106.683 164.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.702 ' CE1' ' HG ' ' A' ' 158' ' ' LEU . 4.6 p90 -98.81 128.01 44.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.444 0.64 . . . . 71.51 110.333 -171.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 33.4 ttmt -98.73 108.41 21.1 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.676 -0.693 . . . . 52.14 109.926 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 1.043 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.4 p90 -110.86 -175.41 2.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.27 -0.877 . . . . 65.44 109.506 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.5 p -112.74 121.86 45.96 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.2 0.524 . . . . 71.33 109.727 173.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.9 t -96.33 134.19 39.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.814 -0.63 . . . . 71.01 109.605 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 m -65.88 114.6 5.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.221 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.602 ' CG ' ' HB3' ' A' ' 96' ' ' ALA . 28.6 tpt180 -91.35 109.25 20.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.648 -0.706 . . . . 73.14 109.316 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.12 112.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 74.22 111.088 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 7.61 62.47 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.797 -0.638 . . . . 45.24 112.457 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . . . -148.86 -159.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.564 0.221 . . . . 71.31 110.714 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.68 175.52 22.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.88 -0.676 . . . . 74.13 112.615 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 p -53.1 129.57 31.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 70.42 111.838 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -115.37 123.43 48.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.211 -0.449 . . . . 63.3 110.247 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -71.82 129.65 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 72.4 110.4 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.6 tpp -141.1 138.97 33.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.622 -0.717 . . . . 70.23 110.529 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.7 p30 -109.81 149.9 29.15 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.64 -0.709 . . . . 72.44 109.822 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 1.043 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.81 134.91 3.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.509 . . . . 74.15 111.148 172.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 11.4 tt -75.98 124.2 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 63.13 110.88 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.517 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.7 pt -117.26 137.91 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.231 0.539 . . . . 73.51 111.421 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.521 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 33.4 m-85 -94.12 103.49 15.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.505 -0.771 . . . . 75.43 110.533 174.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 4.4 tt -90.9 101.86 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.638 -0.71 . . . . 63.03 109.272 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 142' ' ' GLN . 14.0 tp60 -89.02 102.8 15.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.953 -0.567 . . . . 75.04 110.072 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.755 HD12 ' HG3' ' A' ' 81' ' ' ARG . 59.8 mt -76.83 95.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.612 -0.885 . . . . 75.21 108.612 172.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.74 98.16 13.55 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.077 -0.51 . . . . 60.52 110.211 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.845 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 19.7 Cg_exo -66.21 116.32 3.96 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.451 2.1 . . . . 74.25 110.154 171.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.595 ' HA ' ' NZ ' ' A' ' 119' ' ' LYS . 22.7 t70 -64.73 -41.96 95.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.475 -0.33 . . . . 71.41 111.109 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.02 44.39 2.98 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.871 -0.68 . . . . 71.33 112.202 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.845 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -110.93 177.44 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.59 0.233 . . . . 62.13 111.125 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 40.4 m -46.99 105.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.209 0.943 . . . . 71.54 111.789 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.73 -38.59 72.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.651 0.611 . . . . 73.43 112.651 -170.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.795 0.331 . . . . 71.24 111.426 -174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -84.76 -23.02 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.894 -0.322 . . . . 73.51 111.144 -178.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 112' ' ' ASP . 1.5 tmtp? -71.68 -32.29 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.533 -0.543 . . . . 72.24 109.533 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.0 ttt -63.63 -36.85 85.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 55.32 110.182 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 32' ' ' ILE . 44.5 t -63.9 -48.7 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 72.23 110.159 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -63.26 -32.32 73.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.265 -0.425 . . . . 75.55 111.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.88 67.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.822 0.344 . . . . 72.05 110.67 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -83.18 -39.87 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.761 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.755 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.492 -0.322 . . . . 63.13 111.51 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.52 81.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.98 0.419 . . . . 74.31 110.422 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.51 -24.01 39.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 62.24 110.806 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.46 51.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.471 -0.331 . . . . 72.14 111.293 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.657 HD11 HG11 ' A' ' 11' ' ' VAL . 5.6 tp -63.4 -37.26 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.499 -0.319 . . . . 75.55 111.457 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.96 -35.53 69.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 74.21 110.493 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.0 m -72.63 -26.99 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.681 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.7 m -65.86 -52.33 51.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.223 -0.444 . . . . 64.32 110.112 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.521 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.7 mp -72.87 -26.3 61.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.295 -0.411 . . . . 74.14 111.677 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.19 46.0 63.21 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.228 -0.511 . . . . 71.22 112.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 m -85.62 -48.85 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 72.3 111.224 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.6 -30.56 4.5 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.006 -0.616 . . . . 44.34 114.058 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 59.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.688 0.756 . . . . 74.42 111.517 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -114.21 146.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.316 -0.856 . . . . 61.12 110.368 176.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.27 99.09 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.432 -0.951 . . . . 74.23 108.432 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 106' ' ' PHE . 57.2 tt0 -108.25 123.96 49.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.313 -0.858 . . . . 63.2 109.65 -176.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.691 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 32.2 p90 -130.93 139.2 50.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.783 0.325 . . . . 73.33 111.138 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 108' ' ' GLN . 96.6 mt-30 -102.3 113.05 26.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.524 . . . . 74.25 109.691 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 148' ' ' GLU . 31.5 m -120.52 149.88 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.263 -0.426 . . . . 75.32 111.083 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 50.2 m -110.23 -53.34 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.368 -0.378 . . . . 63.25 111.447 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -85.41 158.67 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.54 111.609 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.966 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 13.9 pt-20 -60.11 -33.59 72.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 51.33 111.364 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 m -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.197 0.523 . . . . 73.41 110.653 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 143' ' ' VAL . 9.0 mm-40 -71.15 -29.29 65.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 75.44 110.853 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.486 ' HB3' HG21 ' A' ' 143' ' ' VAL . 23.2 ptp -102.35 11.97 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.018 -0.537 . . . . 73.42 110.862 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 60.3 m -75.38 152.66 38.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.804 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 63' ' ' PHE . 28.9 p80 -57.24 -29.17 63.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.873 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -56.37 -50.51 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.882 0.372 . . . . 74.33 110.874 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 64.7 mm-40 -75.31 -30.56 60.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 73.43 111.211 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 30.3 mt -57.09 -43.77 82.5 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.015 -0.274 . . . . 72.32 110.304 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.1 tt -68.89 -44.39 73.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.238 -0.437 . . . . 61.25 109.832 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.526 HD22 ' HD3' ' A' ' 157' ' ' LYS . 8.8 t30 -60.01 -51.25 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.771 -0.65 . . . . 61.33 111.716 -176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 69.1 mmtt -64.23 -43.75 93.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.371 0.605 . . . . 62.32 109.77 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.702 ' HG ' ' CE1' ' A' ' 87' ' ' PHE . 3.6 mm? -66.71 -10.82 50.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.078 -0.965 . . . . 54.32 112.036 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.81 -55.01 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.707 -0.759 . . . . 54.22 112.124 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 8.2 pt-20 -64.85 -22.13 66.93 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.64 0.607 . . . . 71.33 112.64 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -56.48 -41.35 76.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.696 0.284 . . . . 73.32 110.758 -175.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.708 ' H ' ' HD3' ' A' ' 161' ' ' LYS . 39.8 m-85 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 74.44 111.784 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.19 0.519 . . . . 71.33 111.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -99.66 -12.57 19.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.872 -0.604 . . . . 70.44 110.175 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 69.59 0.95 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.636 -0.793 . . . . 52.34 111.691 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.55 123.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.886 0.374 . . . . 75.24 110.091 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.579 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 22.8 ptm -99.45 171.29 8.04 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.459 -0.571 . . . . 74.34 109.459 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.641 HG23 ' HB ' ' A' ' 37' ' ' VAL . 7.4 p -130.05 131.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 120.974 -0.29 . . . . 71.31 110.798 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -56.24 124.9 62.91 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.612 -0.514 . . . . 72.32 109.612 171.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' ASP . 67.3 Cg_exo -52.77 -26.41 30.34 Favored 'Trans proline' 0 N--CA 1.472 0.235 0 C-N-CA 123.526 2.817 . . . . 71.45 114.32 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB3' HG11 ' A' ' 39' ' ' VAL . 24.7 t70 -66.3 -24.44 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.658 0.266 . . . . 73.25 111.345 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' CE2' ' A' ' 15' ' ' PHE . 59.8 t -60.27 -48.75 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.641 -0.503 . . . . 74.22 109.641 175.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 51.1 mt-30 -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 73.2 110.765 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -60.19 -40.82 91.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 74.41 110.451 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.796 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 54.0 m -64.73 -39.72 94.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.941 -0.572 . . . . 74.21 110.64 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 35.7 m-85 -58.89 -41.07 86.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.06 0.457 . . . . 73.33 110.55 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.97 -54.51 29.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.267 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.796 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 52.1 pttt -67.32 -17.84 64.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.704 0.261 . . . . 63.01 111.704 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 27' ' ' TYR . 9.5 tt -76.19 -61.26 2.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 64.23 110.06 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.6 -34.22 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 72.52 110.918 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -85.55 -5.67 59.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 72.41 110.028 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.1 -102.18 0.74 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.049 -0.82 . . . . 51.33 111.049 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . 23.6 mmt180 -112.25 -71.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.623 -0.431 . . . . 75.44 110.072 174.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 8.7 mmtp -177.49 -77.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.456 1.102 . . . . 73.24 108.92 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 4.9 mp0 -80.16 16.57 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.015 0.436 . . . . 75.35 110.465 174.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.714 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -93.7 123.17 36.85 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.337 -0.616 . . . . 71.0 109.337 -178.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.758 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 41.92 114.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.974 1.422 . . . . 70.52 112.505 -167.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.787 ' HA ' HD12 ' A' ' 18' ' ' LEU . 10.2 p90 -107.85 166.46 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.431 -0.804 . . . . 53.32 110.717 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.72 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -109.91 120.0 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.479 0.657 . . . . 63.21 111.626 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 38.3 mm -115.39 116.54 52.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.342 -0.844 . . . . 74.11 109.265 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.72 ' HD1' HG13 ' A' ' 28' ' ' ILE . 11.5 p90 -134.93 157.99 45.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 73.43 111.698 -174.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.014 ' HG2' HH11 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -136.97 173.48 11.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 74.44 109.991 -176.572 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 37' ' ' VAL . 35.5 mm -105.17 118.23 52.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.014 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -134.3 151.56 51.32 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.359 -0.978 . . . . 52.15 108.359 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.23 -99.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.524 -0.547 . . . . 74.53 109.524 -171.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -146.13 20.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 60.1 110.404 176.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.597 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.78 171.82 13.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 71.15 111.617 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.641 ' HB ' HG23 ' A' ' 7' ' ' VAL . 40.6 t -81.98 129.08 38.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.5 -0.773 . . . . 75.42 110.384 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.597 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 44.2 pt -118.06 139.83 43.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 74.14 110.739 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 10' ' ' ASP . 3.3 p -86.51 129.04 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 73.33 109.889 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.38 -45.54 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.925 0.393 . . . . 75.33 110.839 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.83 135.81 40.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.937 0.399 . . . . 71.31 111.406 -176.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -143.92 74.43 1.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.301 -0.863 . . . . 73.21 109.497 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 29.1 m -132.48 166.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.76 . . . . 73.41 110.247 -176.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.758 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 12.1 t -98.63 150.25 21.95 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.749 0.309 . . . . 73.13 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -71.1 -20.45 62.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.047 0.451 . . . . 50.21 110.078 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 6.4 t70 -65.85 -27.95 68.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.721 . . . . 71.52 111.518 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 44' ' ' THR . 20.0 pt20 -89.86 -12.73 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.695 0.258 . . . . 75.21 111.695 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.8 -5.96 23.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.65 -0.42 . . . . 72.11 111.553 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.82 2.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.063 -1.065 . . . . 42.3 113.508 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 14.7 mm -82.16 164.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.428 -0.582 . . . . 63.22 109.428 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.433 ' H ' HG22 ' A' ' 50' ' ' ILE . 21.3 p -80.22 -50.58 10.05 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.305 0.854 . . . . 72.54 113.305 -171.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.96 -83.93 0.11 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 119.626 -1.273 . . . . 11.24 114.067 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 5.1 m-20 -70.79 132.25 45.04 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.703 0.26 . . . . 72.23 111.703 -172.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.22 -65.91 0.54 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.932 0.715 . . . . 74.32 112.932 -170.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.718 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 57.7 t80 -109.49 -18.86 13.43 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.764 -0.585 . . . . 74.55 110.336 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 28.4 t70 -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.906 -0.588 . . . . 61.51 110.243 177.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -113.68 3.81 15.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.275 0.559 . . . . 71.23 110.05 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m 66.0 38.18 5.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.424 -0.807 . . . . 72.02 112.234 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.473 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 49.7 m -79.46 -12.08 59.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.409 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 151' ' ' HIS . 12.5 pttm -55.4 -23.45 24.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.214 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.6 -29.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.007 -0.542 . . . . 42.32 111.121 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.91 -36.72 72.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.04 -0.527 . . . . 74.25 111.663 176.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 81.2 m-85 -65.89 -22.85 66.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.822 0.344 . . . . 54.21 111.407 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.643 ' HB2' ' CD2' ' A' ' 151' ' ' HIS . 8.6 t70 -69.95 -46.78 64.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.076 -0.511 . . . . 73.04 111.289 -174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.64 61.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 72.04 111.661 -174.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 28.6 m-85 -84.65 -28.53 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.217 0.451 . . . . 61.23 112.217 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 64' ' ' ASP . 21.4 m -61.04 -23.9 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.957 0.408 . . . . 62.0 111.397 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 77.4 mm-40 -74.78 -57.57 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.392 . . . . 74.3 110.431 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.43 -32.86 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 64.22 110.404 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 66' ' ' PHE . 53.7 t -61.39 -53.46 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.608 -0.724 . . . . 62.54 110.985 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.701 ' HD3' ' HG2' ' A' ' 146' ' ' GLU . 18.6 pttm -79.76 -21.03 44.92 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.006 -1.078 . . . . 71.32 111.583 -171.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.0 m -75.55 -30.52 59.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.623 0.249 . . . . 75.32 111.214 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -85.91 -24.54 26.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.913 -0.315 . . . . 73.21 111.066 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 79' ' ' ASP . 53.9 p -94.78 2.52 55.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.646 -0.252 . . . . 61.53 111.335 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 74' ' ' THR . 22.2 t70 70.4 -64.99 0.34 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.856 0.723 . . . . 74.22 110.325 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -141.89 -77.84 0.26 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 72.42 109.633 175.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -150.13 34.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 71.02 110.634 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -75.48 -24.92 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 54.15 111.274 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.529 ' HB3' HG22 ' A' ' 74' ' ' THR . 31.6 t70 -108.89 144.58 36.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.045 -172.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.2 p -139.03 135.76 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.645 . . . . 54.4 110.034 -177.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 1.014 HH11 ' HG2' ' A' ' 31' ' ' LYS . 26.0 mtt180 -145.47 166.7 24.9 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.71 0.29 . . . . 73.53 111.511 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.64 ' HE2' ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -117.5 128.18 54.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.095 -0.502 . . . . 63.12 109.679 -177.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.48 150.75 47.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.255 -0.276 . . . . 64.05 110.255 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -134.62 130.73 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.931 0.396 . . . . 64.51 111.122 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -137.79 138.45 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.744 -0.662 . . . . 73.42 109.684 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.655 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.5 t70 -100.56 99.4 9.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.96 -1.126 . . . . 43.32 107.96 169.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -102.56 143.31 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.907 -0.405 . . . . 71.34 109.907 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 9.1 ptpp? -112.88 148.22 35.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.229 0.538 . . . . 63.3 109.967 175.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.5 p90 -143.81 172.95 12.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.421 -0.809 . . . . 63.01 109.91 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 99' ' ' SER . 19.6 p -134.16 122.72 23.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.085 -0.507 . . . . 75.04 110.831 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.1 m -99.08 131.26 45.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.17 -0.468 . . . . 64.35 110.007 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -74.96 109.17 8.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.312 0.577 . . . . 52.52 109.77 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 79.9 ttt180 -73.26 142.15 47.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.462 -0.79 . . . . 71.14 110.136 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.51 113.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 71.33 110.746 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.72 10.45 85.14 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.68 -0.691 . . . . 33.0 112.368 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -138.53 -166.51 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 55.15 111.041 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.6 -144.31 13.59 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.719 -0.753 . . . . 51.24 112.322 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -80.38 140.71 35.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.401 0.62 . . . . 52.32 112.068 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.1 m -118.55 114.95 23.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.495 -0.775 . . . . 65.2 109.16 171.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -82.26 126.4 32.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.021 0.438 . . . . 73.3 110.529 -178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -134.09 140.05 46.36 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.842 -0.799 . . . . 70.43 108.842 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 1.5 p30 -130.63 144.59 51.53 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.121 -0.325 . . . . 74.11 110.121 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 103' ' ' LYS . 8.9 tppt? -160.26 133.6 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.071 0.462 . . . . 65.23 111.161 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.655 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 tt -72.21 120.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.444 -0.798 . . . . 63.44 110.576 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 141' ' ' PHE . 32.9 pt -108.34 141.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.016 0.436 . . . . 74.33 110.619 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 138' ' ' ILE . 29.4 m-85 -95.73 107.08 19.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.936 -0.575 . . . . 61.52 110.181 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 141' ' ' PHE . 27.7 tp -95.32 102.49 14.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.587 -0.733 . . . . 55.2 110.269 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.467 ' OE1' ' HB2' ' A' ' 126' ' ' ALA . 29.1 tt0 -111.61 105.53 14.1 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.613 -0.514 . . . . 41.32 109.613 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.2 mt -89.48 103.57 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.84 -0.8 . . . . 74.42 108.84 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 76.7 m -146.04 99.14 4.32 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 65.1 111.536 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.847 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 32.2 Cg_exo -63.13 147.96 93.7 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.907 2.405 . . . . 71.15 111.217 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 38.7 t70 -87.01 -32.76 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.424 -0.584 . . . . 73.21 109.424 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.75 34.14 2.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.154 -0.778 . . . . 62.45 111.154 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.847 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.567 . . . . 73.45 110.31 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -57.29 102.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 54.2 110.707 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 75.6 mt -54.18 -39.56 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.235 0.828 . . . . 72.23 113.235 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -62.59 -54.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.745 -0.382 . . . . 75.15 111.355 -175.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 118' ' ' LYS . 19.7 ptmt -75.06 -28.47 60.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 70.14 110.294 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 34.2 ttpt -59.95 -43.67 94.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.238 0.542 . . . . 74.52 110.028 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.37 -32.03 73.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.733 . . . . 64.15 111.339 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 117' ' ' LYS . 26.1 t -73.35 -41.95 57.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.589 -0.278 . . . . 71.11 110.82 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 81' ' ' ARG . 30.7 m-85 -63.26 -35.69 81.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 70.43 111.094 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -28.02 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 50.23 110.835 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.1 m -84.56 -32.88 23.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 72.54 110.832 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 p -68.05 -20.59 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.674 0.274 . . . . 54.01 111.205 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -56.74 -43.89 81.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.0 0.429 . . . . 65.14 110.467 173.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.23 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 71.42 110.731 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.72 -47.52 75.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 73.33 110.999 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.84 -31.06 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.171 0.51 . . . . 72.52 110.245 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -71.63 -35.52 70.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 72.25 110.472 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.5 m -79.0 -36.37 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.317 -0.401 . . . . 73.34 111.246 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 p -70.82 -29.47 65.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.396 -0.365 . . . . 64.12 111.754 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 15' ' ' PHE . 9.3 mp -100.95 -25.68 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 62.12 111.018 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.6 -67.95 3.56 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.366 -0.694 . . . . 51.44 111.366 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.8 p 50.7 -97.04 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.94 0.896 . . . . 51.0 112.83 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.12 88.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.104 -0.57 . . . . 73.11 112.692 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.933 ' HE2' ' HA ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -143.6 38.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 70.11 109.759 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 106' ' ' PHE . 1.6 pp -102.45 162.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.81 -0.632 . . . . 74.22 111.703 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.87 99.19 7.11 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.626 -0.879 . . . . 61.52 108.626 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.86 128.11 39.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.612 -0.722 . . . . 75.22 109.282 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.529 ' CE2' HD13 ' A' ' 107' ' ' LEU . 13.6 p90 -124.35 118.88 27.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.314 0.578 . . . . 71.12 110.104 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 77.1 mt-30 -94.3 114.11 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.45 -0.795 . . . . 65.33 110.027 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.9 170.09 8.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.933 -0.576 . . . . 61.41 110.302 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 p -141.52 -27.01 0.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.899 0.38 . . . . 64.31 111.321 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.579 ' HB3' ' HG3' ' A' ' 148' ' ' GLU . 19.7 t70 -98.7 146.0 26.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.28 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.701 ' HG2' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.32 -17.23 64.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.646 0.61 . . . . 74.45 112.646 -176.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 71.1 m -81.55 -16.98 50.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 51.25 110.449 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 145' ' ' ASP . 43.1 mt-10 -81.4 -29.07 34.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.421 . . . . 74.22 110.344 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 146' ' ' GLU . 26.4 ptm -93.66 8.53 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 62.11 110.958 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.2 m -68.88 152.03 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.256 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 64' ' ' ASP . 7.0 p80 -64.81 -25.61 67.98 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.877 0.325 . . . . 70.41 111.877 -173.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -58.93 -42.46 89.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.08 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 60.4 mm-40 -80.96 -24.08 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.746 0.647 . . . . 70.04 112.746 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.65 -42.25 87.93 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.467 -0.493 . . . . 53.24 110.081 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 155' ' ' LEU . 7.1 tt -69.6 -39.08 77.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.9 -0.591 . . . . 72.54 109.582 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -62.51 -45.89 90.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.29 -0.414 . . . . 61.41 111.217 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 60.0 mmtt -66.43 -39.86 89.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.989 0.423 . . . . 73.12 111.434 -175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.0 tp -82.43 -31.73 29.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.28 0.562 . . . . 72.21 110.47 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -76.55 -28.49 59.42 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.366 -0.834 . . . . 23.3 113.764 -174.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 161' ' ' LYS . 6.8 pt-20 -60.64 -45.27 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.644 0.722 . . . . 53.2 111.274 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -85.96 -69.83 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.741 -0.384 . . . . 73.44 112.025 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 112.515 0.561 . . . . 73.53 112.515 -170.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HG3' ' SD ' ' A' ' 120' ' ' MET . 17.2 tmm? . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.665 0.269 . . . . 74.14 110.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -76.04 34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.119 0.485 . . . . 71.33 110.652 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 1' ' ' MET . 3.2 m -76.72 -24.02 53.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.897 -0.592 . . . . 73.13 110.789 -175.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 71.93 1.3 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.488 -0.863 . . . . 73.23 111.993 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG11 ' OG ' ' A' ' 125' ' ' SER . 45.8 t -66.98 130.59 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.961 0.41 . . . . 65.42 111.119 -177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 ptp -120.01 170.29 9.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.795 -0.638 . . . . 51.55 109.516 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.21 139.14 36.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.869 -0.332 . . . . 74.11 111.24 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.612 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.18 128.63 93.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.205 -0.665 . . . . 45.31 109.205 170.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -45.21 -36.56 12.44 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.675 2.917 . . . . 43.55 114.499 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.79 -16.9 64.23 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.448 0.536 . . . . 65.5 112.448 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG11 HD11 ' A' ' 129' ' ' ILE . 79.1 t -58.5 -53.26 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 72.22 110.119 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 43.5 mt-30 -64.38 -37.1 86.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.563 . . . . 73.4 110.862 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 m -59.1 -43.0 91.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 72.14 110.805 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 m -67.53 -28.06 67.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 72.41 110.874 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.664 ' HE1' HG11 ' A' ' 84' ' ' VAL . 20.1 m-85 -77.05 -28.48 54.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 70.51 111.444 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 17.6 mm-40 -64.52 -54.37 33.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 74.52 110.917 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -14.79 61.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.143 -0.481 . . . . 65.13 112.043 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 26' ' ' ARG . 52.9 tp -87.93 -57.31 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.702 -0.481 . . . . 72.52 109.702 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.8 m -59.14 -53.57 56.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 70.4 111.884 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -103.72 12.83 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.905 0.383 . . . . 65.34 111.381 -174.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.63 -96.26 0.97 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.286 -0.959 . . . . 42.32 112.984 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.7 mmt180 -70.59 -20.73 62.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 74.41 112.601 -174.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 19.9 mtpp 70.82 -86.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.69 0.619 . . . . 72.11 111.993 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -108.72 17.87 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 73.52 110.882 -172.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -130.71 137.57 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.615 -0.434 . . . . 73.23 111.393 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.831 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 29.7 mtt180 66.26 115.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.039 -0.982 . . . . 71.1 110.52 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -111.99 178.67 4.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 72.3 111.955 -167.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.539 HG13 ' CD1' ' A' ' 30' ' ' PHE . 5.4 tp -119.58 126.08 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.631 -0.713 . . . . 71.22 110.94 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -115.45 108.37 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 73.22 109.324 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CD1' HG13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -134.87 130.57 36.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 64.34 111.598 -175.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HD3' ' A' ' 81' ' ' ARG . 1.2 mptm? -118.13 -179.55 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 71.04 110.184 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.02 127.86 50.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.327 -0.397 . . . . 61.44 110.12 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 38' ' ' ILE . 28.6 t70 -125.62 122.28 35.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.352 -0.61 . . . . 72.21 109.352 174.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 63.94 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 72.42 111.643 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -152.98 14.55 0.53 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.184 0.439 . . . . 41.54 112.184 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -143.95 160.04 41.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.084 -0.646 . . . . 60.13 111.045 176.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.612 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 22.8 t -77.5 130.4 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.619 -0.719 . . . . 75.41 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.546 HG22 ' HE3' ' A' ' 36' ' ' LYS . 43.9 pt -119.44 141.72 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 64.25 111.293 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.2 t -85.73 108.64 17.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.296 -0.411 . . . . 71.43 110.03 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' HD3' ' A' ' 31' ' ' LYS . 92.5 mt-10 -80.84 -42.51 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.48 -0.327 . . . . 74.13 110.37 178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 140.07 19.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.125 0.488 . . . . 73.34 112.019 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.32 75.22 0.93 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.477 -0.934 . . . . 72.21 108.477 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.06 144.01 31.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.266 -0.879 . . . . 74.32 111.636 -167.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.831 ' HB ' ' HG2' ' A' ' 26' ' ' ARG . 10.2 t -100.96 163.91 12.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.301 -0.629 . . . . 71.2 109.301 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 12.5 pt20 -83.97 -19.59 34.34 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.507 -0.477 . . . . 72.34 110.068 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.5 p30 -77.18 -15.66 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 75.43 111.236 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -91.34 -13.35 32.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.88 -0.328 . . . . 62.45 111.088 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -99.1 -15.17 19.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.724 -0.39 . . . . 71.13 111.478 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.2 -20.65 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.984 -1.103 . . . . 74.44 113.266 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 51' ' ' THR . 7.2 mm -86.74 178.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.188 -0.671 . . . . 72.31 109.188 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.704 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -97.89 -34.73 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.463 0.542 . . . . 74.42 112.463 -176.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.58 -78.41 0.3 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 119.675 -1.25 . . . . 32.15 114.61 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 9.7 m-20 -64.06 126.86 29.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.869 0.322 . . . . 74.42 111.869 -170.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 14.1 t70 -53.58 -64.97 0.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.89 -0.595 . . . . 73.41 112.155 -176.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -100.91 -39.4 7.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.308 -0.557 . . . . 72.42 110.47 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 24.4 t70 -54.75 -42.24 71.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 73.44 110.831 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 58' ' ' SER . 5.0 t70 -96.69 -26.18 15.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.714 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 21.8 t 83.7 35.51 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.234 0.959 . . . . 54.33 110.315 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.444 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 75.0 m -81.46 1.31 33.8 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.787 -0.642 . . . . 74.31 111.252 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.609 ' HD2' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -57.33 -24.8 57.41 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.292 0.237 . . . . 72.12 111.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.27 -31.11 42.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.395 -0.366 . . . . 55.41 111.038 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.16 79.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.386 . . . . 41.14 110.114 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 98.3 m-85 -65.38 -26.16 67.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.805 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -69.46 -38.03 77.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.854 -0.612 . . . . 73.22 110.823 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -86.92 -23.9 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.319 . . . . 73.04 111.333 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 m-30 -61.56 -34.68 75.99 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.842 0.312 . . . . 73.41 111.842 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.787 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 34.6 m -63.37 -32.49 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 73.54 111.021 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -69.97 -41.92 73.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.392 0.615 . . . . 64.34 110.131 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 17.0 t70 -60.25 -36.53 77.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.261 -0.882 . . . . 73.32 109.381 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.0 t -58.15 -46.28 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 115.487 -0.779 . . . . 53.13 111.212 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -80.21 -21.0 43.36 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 118.891 -1.124 . . . . 72.53 110.836 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -75.45 -48.31 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.329 -0.396 . . . . 74.22 110.96 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 52.3 ptt85 -78.96 -31.65 45.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.782 0.29 . . . . 74.52 111.782 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.773 HG21 ' HB2' ' A' ' 79' ' ' ASP . 2.8 m -101.15 15.33 29.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.794 0.33 . . . . 75.2 111.812 -174.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.14 -77.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.873 0.694 . . . . 74.24 112.873 171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -103.91 -82.82 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.732 0.301 . . . . 61.55 110.266 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -161.89 23.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.768 -0.827 . . . . 72.33 108.768 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.73 29.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.899 -1.046 . . . . 72.11 111.899 -171.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.773 ' HB2' HG21 ' A' ' 74' ' ' THR . 17.2 t70 -98.4 139.78 33.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.51 -0.552 . . . . 75.22 109.51 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HA ' HG23 ' A' ' 109' ' ' ILE . 30.8 m -147.76 134.46 19.96 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.179 -1.045 . . . . 72.54 108.179 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.557 ' HD3' ' HE2' ' A' ' 31' ' ' LYS . 4.2 ptp180 -163.96 175.67 10.12 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.973 -0.38 . . . . 74.54 109.973 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.1 m-85 -112.94 128.17 56.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.779 -0.646 . . . . 74.11 109.334 166.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -131.75 130.22 41.63 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.925 -0.58 . . . . 71.45 109.698 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.664 HG11 ' HE1' ' A' ' 15' ' ' PHE . 68.6 t -124.86 122.37 63.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 121.274 0.559 . . . . 71.33 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CE2' ' HB1' ' A' ' 83' ' ' ALA . 53.4 m-85 -129.66 131.02 46.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.349 -0.841 . . . . 72.52 109.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.7 t70 -90.95 97.79 11.39 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.305 -1.739 . . . . 63.43 106.305 165.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -101.93 135.07 44.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.423 0.63 . . . . 71.42 110.491 -171.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 31.2 ttmt -94.69 109.95 21.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.349 -0.841 . . . . 72.24 110.694 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' CE1' HD23 ' A' ' 158' ' ' LEU . 11.3 p90 -121.48 -171.64 2.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.16 -0.927 . . . . 61.34 109.658 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.556 ' HB ' HG23 ' A' ' 98' ' ' THR . 27.7 p -123.57 124.54 43.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.661 0.267 . . . . 74.21 110.72 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.1 t -96.86 140.18 31.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.967 -0.56 . . . . 51.11 109.708 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 p -82.02 101.6 10.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.99 -0.55 . . . . 41.14 110.334 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -72.26 120.45 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.579 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.82 116.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 75.03 109.958 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.31 -12.04 47.84 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.372 -0.691 . . . . 70.01 111.372 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.12 -160.64 1.09 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.081 -0.34 . . . . 73.03 110.081 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.55 -135.76 6.78 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.617 -0.801 . . . . 64.45 112.595 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.556 HG23 ' HB ' ' A' ' 90' ' ' THR . 52.5 m -70.77 134.85 47.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.827 0.346 . . . . 64.12 111.302 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -139.06 121.13 15.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 55.4 110.139 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 4.9 tmmm? -68.91 130.5 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.084 -176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.1 136.55 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 51.24 110.092 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.34 129.45 53.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.398 -0.364 . . . . 64.15 110.343 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.878 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -164.76 164.3 21.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.611 0.719 . . . . 41.41 112.918 177.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 6.7 tt -95.04 140.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.326 -1.307 . . . . 73.1 111.864 -168.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.9 pt -130.01 144.19 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 72.44 111.125 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.686 ' HE1' HG21 ' A' ' 138' ' ' ILE . 31.0 m-85 -93.11 112.5 24.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 52.45 110.462 172.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 7.1 tt -94.89 103.0 14.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.722 -0.473 . . . . 71.12 109.722 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.686 HE22 ' HB3' ' A' ' 122' ' ' TYR . 5.4 tp60 -103.21 115.01 29.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.75 -0.659 . . . . 71.41 109.306 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.479 HG12 ' HD3' ' A' ' 111' ' ' PRO . 8.9 tt -104.44 108.9 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.369 0.604 . . . . 53.44 110.059 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.8 t -122.86 85.6 50.15 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.419 -0.809 . . . . 74.03 110.791 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.798 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 31.5 Cg_exo -62.15 122.53 11.03 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.901 2.401 . . . . 63.54 111.059 174.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.82 -43.05 99.62 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.39 -0.524 . . . . 74.14 109.798 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.93 50.41 4.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.957 -0.64 . . . . 73.32 112.302 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -125.47 176.81 6.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.648 0.261 . . . . 44.35 110.841 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.5 m -62.88 101.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.804 -0.635 . . . . 62.33 110.88 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.38 -44.48 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -49.98 -64.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.833 0.349 . . . . 60.03 111.609 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.34 -24.11 59.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.168 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.602 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 35.9 ttpt -74.14 -39.76 63.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.964 0.411 . . . . 74.55 110.625 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.461 ' SD ' ' HG3' ' A' ' 1' ' ' MET . 19.1 ttt -68.09 -21.75 64.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 72.23 109.936 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.26 -35.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 64.23 109.992 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB3' HE22 ' A' ' 108' ' ' GLN . 50.2 m-85 -66.97 -25.1 66.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 74.11 111.396 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.73 -36.7 73.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 71.2 109.967 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 m -70.59 -29.42 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 55.15 110.044 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.407 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 18.0 m -69.65 -36.12 75.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.559 -0.746 . . . . 61.11 111.478 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.02 -41.4 59.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.909 0.385 . . . . 74.21 111.625 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.84 71.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.544 . . . . 71.3 110.571 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -51.2 50.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 71.21 112.046 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 11' ' ' VAL . 5.7 tp -63.71 -37.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.716 -0.22 . . . . 72.15 111.463 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 130' ' ' LYS . 27.6 ttpt -74.08 -42.99 59.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 61.34 110.224 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 55.3 m -65.18 -34.81 79.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.045 -0.525 . . . . 63.15 110.769 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -29.56 66.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.374 -0.376 . . . . 45.45 111.037 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.48 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.5 mp -92.42 -28.51 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.39 -0.524 . . . . 53.42 111.938 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 50.08 41.98 38.95 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 121.424 -0.417 . . . . 62.12 113.114 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.498 HG21 HG23 ' A' ' 138' ' ' ILE . 2.9 m -68.02 -44.45 76.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 70.22 111.527 -175.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.12 -31.54 2.05 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 116.23 -0.441 . . . . 43.3 113.402 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -128.25 95.77 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.99 0.424 . . . . 71.15 110.083 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.686 HG21 ' HE1' ' A' ' 106' ' ' PHE . 1.6 pp -149.16 159.35 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.832 -0.622 . . . . 74.13 111.147 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 139' ' ' LEU . 4.1 mm? -110.19 99.9 8.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.095 -0.706 . . . . 72.23 109.095 172.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -104.52 100.82 10.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.888 -0.596 . . . . 71.13 109.768 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.559 ' HD2' HG13 ' A' ' 143' ' ' VAL . 36.0 p90 -100.62 152.44 20.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.955 -0.566 . . . . 73.24 110.95 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -112.99 105.79 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.198 0.523 . . . . 62.3 110.302 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 141' ' ' PHE . 26.9 m -105.28 165.27 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.594 -0.73 . . . . 63.02 110.111 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 56.7 p -136.3 -27.12 1.09 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.833 0.349 . . . . 71.43 111.24 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.85 154.66 23.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.792 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.787 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 9.6 pt-20 -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 74.13 111.612 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.2 t -70.15 -24.84 63.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.345 -0.389 . . . . 54.22 110.402 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.93 -24.94 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 55.13 110.656 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.501 ' HB2' HD11 ' A' ' 107' ' ' LEU . 25.9 ptm -103.55 19.33 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.975 0.416 . . . . 70.12 110.803 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 38.8 m -80.21 162.85 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.666 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.604 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 32.1 p80 -60.18 -38.68 83.96 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.63 0.604 . . . . 65.21 112.63 -172.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -61.84 -50.34 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.735 0.302 . . . . 73.41 110.493 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 6.1 mm-40 -62.75 -40.76 98.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.172 -0.467 . . . . 62.44 111.417 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 150' ' ' SER . 30.0 mt -56.61 -48.31 77.73 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.976 -0.29 . . . . 72.11 110.58 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 8.1 tt -60.84 -45.02 96.14 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.512 -0.551 . . . . 72.44 109.512 177.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -58.8 -46.38 87.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.316 -0.856 . . . . 65.13 111.323 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 66.8 mmtt -63.85 -48.73 75.58 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.04 0.448 . . . . 64.45 110.6 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 89' ' ' PHE . 18.1 tp -74.54 -11.32 60.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.655 -175.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -91.81 -46.31 3.71 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.57 -0.824 . . . . 72.52 111.963 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.745 ' HB2' ' HB3' ' A' ' 165' ' ' HIS . 14.1 pt-20 -65.58 -29.25 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.758 0.279 . . . . 70.3 111.288 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.516 ' HD2' ' CD2' ' A' ' 162' ' ' TYR . 3.4 pptp? -49.07 -49.02 43.55 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.552 0.533 . . . . 63.31 112.311 -175.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.516 ' CD2' ' HD2' ' A' ' 161' ' ' LYS . 17.5 m-85 -122.68 0.25 9.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.396 . . . . 64.32 111.103 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -108.08 -141.04 9.55 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.773 -0.727 . . . . 73.12 111.659 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -75.93 124.4 27.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 73.32 110.887 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 160' ' ' GLU . 14.7 p-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.462 -0.78 . . . . 74.41 110.014 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 108.601 -0.888 . . . . 73.12 108.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -73.31 105.09 4.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.0 0.429 . . . . 73.11 110.125 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -99.38 1.53 44.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.54 . . . . 61.12 110.152 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.09 70.32 1.14 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.316 -1.114 . . . . 20.43 110.316 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.56 130.09 25.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.231 0.539 . . . . 74.41 111.33 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 86.1 mtp -99.24 158.11 15.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.614 -0.721 . . . . 72.34 109.567 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 132' ' ' SER . 3.5 p -111.52 112.74 41.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.036 0.446 . . . . 63.43 110.435 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.5 t70 -69.68 131.0 89.87 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.773 -0.454 . . . . 72.41 109.773 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -56.53 -26.09 62.12 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 123.274 2.649 . . . . 65.22 113.717 -173.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.69 -24.6 67.62 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.056 0.391 . . . . 74.03 112.056 -175.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' ASP . 17.8 m -68.6 -42.09 83.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.449 -0.575 . . . . 73.14 109.449 174.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -69.66 -35.92 75.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.542 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 m -59.44 -41.62 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.366 0.603 . . . . 64.14 110.308 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' HD13 ' A' ' 28' ' ' ILE . 38.2 m -69.35 -34.13 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.625 -0.716 . . . . 64.03 110.858 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.638 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 19.7 m-85 -63.9 -26.15 68.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 74.21 111.398 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 15.8 mm100 -84.55 -42.12 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 75.14 111.403 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -59.24 -31.57 69.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.942 0.719 . . . . 72.24 112.942 -170.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.4 pt? -89.91 -36.15 15.19 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.413 -0.515 . . . . 70.2 110.618 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -67.21 -40.61 86.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 74.22 111.002 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.1 pt-20 -91.7 -3.26 56.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.322 . . . . 75.33 111.089 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.95 -114.63 0.72 Allowed Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.005 -0.838 . . . . 72.31 111.005 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -91.87 -68.87 0.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.611 -0.885 . . . . 61.52 108.611 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? 179.17 -70.76 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.321 -0.854 . . . . 73.44 109.883 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 40.5 mp0 -85.28 13.09 6.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.018 -0.537 . . . . 74.13 111.957 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -88.82 119.94 29.77 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.211 -0.596 . . . . 73.34 111.178 -174.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 1.011 ' H ' ' HB ' ' A' ' 44' ' ' THR . 65.3 mtt85 55.58 116.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 114.395 -1.275 . . . . 65.12 112.515 -175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 61.2 m-85 -100.46 173.47 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 75.22 110.539 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.64 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.0 tp -116.91 121.14 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.544 0.687 . . . . 73.14 111.342 -176.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.47 119.01 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.32 -0.855 . . . . 75.51 108.842 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HD1' HG13 ' A' ' 28' ' ' ILE . 3.1 p90 -134.47 151.21 51.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.348 0.594 . . . . 74.34 111.789 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HG3' ' A' ' 40' ' ' GLU . 55.9 mtpt -139.36 -172.18 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.753 -0.658 . . . . 63.43 110.628 -175.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.554 HD13 ' HA ' ' A' ' 37' ' ' VAL . 25.0 mm -110.1 126.25 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.176 0.512 . . . . 71.22 111.153 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -134.56 151.05 50.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.268 -1.012 . . . . 63.25 108.268 172.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 57.55 -95.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.553 0.533 . . . . 63.51 110.212 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -150.46 20.81 0.83 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.3 -0.409 . . . . 61.25 110.709 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HE3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.73 165.92 26.07 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.503 -0.479 . . . . 74.01 111.177 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.554 ' HA ' HD13 ' A' ' 32' ' ' ILE . 36.6 t -74.99 126.88 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.992 -0.549 . . . . 74.41 110.764 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 ' HE3' ' A' ' 36' ' ' LYS . 24.1 pt -121.29 153.75 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.633 0.254 . . . . 54.34 110.371 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.1 126.87 40.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.24 0.543 . . . . 73.54 110.424 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.712 ' HG3' ' HD3' ' A' ' 31' ' ' LYS . 11.6 mm-40 -96.57 -50.6 4.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.42 110.808 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.43 149.14 33.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 73.24 111.22 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -137.36 83.66 2.01 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.211 -0.904 . . . . 63.24 108.803 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.4 147.62 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.797 -0.638 . . . . 73.13 110.578 -169.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.011 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 4.5 t -99.2 156.65 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.014 -0.365 . . . . 64.43 110.014 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 3.6 pt20 -81.5 -21.49 38.62 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.017 0.437 . . . . 74.34 110.223 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -16.72 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 74.13 110.891 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 44' ' ' THR . 18.9 pt20 -91.15 -19.77 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.924 -0.31 . . . . 74.2 111.192 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 45' ' ' GLN . 4.6 pp -93.68 -12.31 29.59 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.878 -0.329 . . . . 71.22 111.425 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.86 23.0 0.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 119.932 -1.127 . . . . 54.43 113.738 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.9 mm -103.55 155.82 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.618 -0.512 . . . . 53.24 109.618 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 1.6 m -52.97 -60.44 3.28 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.769 0.655 . . . . 74.32 112.769 -173.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.19 -88.98 0.11 Allowed Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.366 -0.921 . . . . 73.21 113.005 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 12.5 t70 -67.53 144.12 55.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.443 0.163 . . . . 72.01 111.031 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 8.0 t70 -56.65 -63.68 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.438 0.533 . . . . 54.13 112.438 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 86.0 t80 -100.52 -37.52 8.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.454 -0.499 . . . . 74.24 111.415 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.84 -15.34 62.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 73.33 110.108 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 17.9 m-20 -120.17 -1.92 10.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.526 -0.761 . . . . 54.0 110.85 171.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.1 m 60.84 32.17 20.08 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.452 0.47 . . . . 73.54 112.187 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 m -74.21 -15.26 61.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.625 0.602 . . . . 70.14 112.625 -174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.613 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -56.43 -22.92 35.1 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 110.244 -0.28 . . . . 72.33 110.244 175.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.69 -27.64 5.02 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.357 -0.383 . . . . 60.1 111.352 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -62.06 -27.57 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.433 . . . . 72.42 110.93 176.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.755 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 28.2 m-85 -72.17 -19.82 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.305 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.1 t70 -58.27 -31.55 67.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 63.31 110.678 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -86.82 -22.31 25.92 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.781 -0.367 . . . . 72.24 110.322 175.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 63' ' ' PHE . 22.3 m-85 -71.37 -30.6 66.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 73.32 111.571 -177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.0 m -63.75 -31.19 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 61.42 110.077 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.38 -41.53 24.47 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.317 -0.623 . . . . 51.51 109.317 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 9.7 t70 -50.56 -35.88 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.093 -0.958 . . . . 74.01 109.881 174.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 66' ' ' PHE . 75.9 t -65.0 -57.39 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.772 -0.649 . . . . 72.02 111.469 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -84.45 -20.71 31.31 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 119.548 -0.861 . . . . 72.41 112.748 -170.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -70.61 -61.27 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.497 0.189 . . . . 71.1 111.264 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 7.9 ppt_? -80.53 -3.08 48.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.218 0.451 . . . . 53.31 112.218 -172.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 79' ' ' ASP . 68.4 p -101.83 -5.99 24.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.156 -0.312 . . . . 73.23 110.156 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 t70 67.99 -59.88 0.42 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.199 -0.91 . . . . 64.32 111.856 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -145.04 51.49 1.22 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 71.0 110.89 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt 59.76 33.82 21.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.858 -0.61 . . . . 70.53 112.125 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -75.16 -40.68 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 62.52 111.146 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 74' ' ' THR . 28.1 t70 -95.16 141.87 28.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.41 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.01 161.21 35.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.099 -0.501 . . . . 55.04 109.731 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.03 166.44 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.741 0.305 . . . . 75.21 111.211 -175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.595 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.33 127.53 55.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.026 -1.102 . . . . 64.11 108.026 176.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -130.09 141.23 50.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.9 0.381 . . . . 74.42 111.105 -174.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.64 ' HB ' HG23 ' A' ' 28' ' ' ILE . 23.4 t -130.37 128.1 63.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.087 -0.506 . . . . 53.44 111.419 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.411 ' O ' HG12 ' A' ' 105' ' ' ILE . 27.9 m-85 -139.02 131.4 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 75.41 109.798 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -86.68 100.84 12.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.895 -0.78 . . . . 43.03 108.895 169.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HZ ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 m-30 -93.77 134.51 36.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.613 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 1.8 ttmp? -107.54 127.74 53.89 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 73.33 109.999 174.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.673 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 8.8 p90 -143.64 178.45 7.78 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.696 -0.684 . . . . 74.12 109.27 -176.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 75.2 p -119.71 121.2 38.69 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.768 -0.373 . . . . 63.34 110.211 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 50.2 t -102.22 131.36 48.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.217 -0.66 . . . . 73.43 109.217 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m -63.66 116.06 5.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.876 0.37 . . . . 64.42 110.47 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -77.29 123.56 26.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.226 -0.657 . . . . 62.03 109.226 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.47 112.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 62.23 110.599 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 4.03 65.35 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 62.53 112.681 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.77 -160.8 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.83 0.315 . . . . 74.1 110.783 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -159.7 35.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.972 -0.633 . . . . 45.21 112.69 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.599 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 2.0 p -81.43 136.52 35.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 74.31 111.706 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -105.86 116.04 31.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 75.23 110.084 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.6 116.74 22.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.211 -0.45 . . . . 70.45 109.877 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 18.8 ttt -131.35 135.41 47.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.398 . . . . 75.31 110.819 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.9 p30 -107.53 141.8 38.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.597 -0.52 . . . . 65.42 109.597 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.593 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -165.04 148.55 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.435 0.636 . . . . 75.32 111.775 176.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.593 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -75.3 132.47 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.719 -1.128 . . . . 74.24 111.409 -177.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.487 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 33.0 pt -113.69 136.92 48.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.69 -0.686 . . . . 73.32 110.722 175.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.553 ' HE2' HG21 ' A' ' 138' ' ' ILE . 30.0 m-85 -92.41 104.33 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.078 -0.51 . . . . 62.5 110.096 173.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 6.6 tt -90.67 102.15 14.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.239 -0.652 . . . . 62.03 109.239 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 142' ' ' GLN . 49.0 tp60 -103.89 113.45 26.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.309 -0.405 . . . . 74.42 110.682 176.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.492 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.5 mt -84.27 116.83 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 144' ' ' SER . 46.3 t -132.04 82.46 59.17 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 120.87 0.366 . . . . 63.44 110.34 -178.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.916 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.9 Cg_exo -63.23 130.31 28.33 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.547 2.165 . . . . 54.43 110.921 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.72 -41.93 91.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 54.31 111.164 -174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.7 22.14 40.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.906 -0.664 . . . . 73.53 112.904 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.916 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -80.63 175.9 10.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.721 0.296 . . . . 62.43 110.932 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.496 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 4.8 m -61.89 94.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.902 -0.59 . . . . 74.21 110.816 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.5 mt -50.06 -43.97 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.572 0.582 . . . . 74.12 112.572 -174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -51.74 68.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.49 0.552 . . . . 64.34 112.49 -175.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 16.1 pttp -85.93 -21.02 28.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.593 -0.443 . . . . 73.21 111.039 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 30.1 ttpt -75.26 -30.74 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.877 -0.416 . . . . 71.45 109.877 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -65.71 -27.96 68.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.214 -0.661 . . . . 65.13 109.214 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 32' ' ' ILE . 47.8 t -58.81 -41.74 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.667 . . . . 71.22 109.893 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.9 -34.59 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.424 -0.353 . . . . 71.42 111.066 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.69 -34.41 78.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.284 0.564 . . . . 73.2 109.949 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.7 m -71.57 -33.6 69.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 54.2 110.009 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.459 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.2 m -68.05 -36.12 79.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 64.31 111.327 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -54.72 -41.09 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 53.31 111.114 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.64 64.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.14 111.08 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.29 -44.59 24.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.351 -0.386 . . . . 54.14 111.591 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.8 tp -60.93 -35.47 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.325 -0.398 . . . . 61.33 111.112 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.64 -26.5 45.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.865 0.364 . . . . 74.11 110.826 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.2 m -76.96 -41.32 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.531 -0.304 . . . . 74.53 110.615 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.635 ' HB3' HG11 ' A' ' 7' ' ' VAL . 10.8 p -64.83 -40.44 95.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 75.4 111.248 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.56 -27.37 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.393 . . . . 73.14 111.183 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.64 -82.52 1.06 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.57 -0.824 . . . . 64.21 111.617 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.819 HG21 HG23 ' A' ' 138' ' ' ILE . 11.5 m 63.78 -65.99 0.11 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.699 0.8 . . . . 64.24 112.548 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.91 -30.46 9.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.476 -0.392 . . . . 54.33 112.85 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -160.9 123.43 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 73.33 110.665 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.819 HG23 HG21 ' A' ' 135' ' ' THR . 1.6 pp -143.41 177.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.88 -0.6 . . . . 75.23 111.181 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.39 102.19 9.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 70.53 109.769 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -105.15 124.09 48.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.279 -0.419 . . . . 75.12 109.989 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 52.2 p90 -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.836 -0.431 . . . . 72.41 109.836 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 76.9 mt-30 -115.19 122.79 47.11 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.603 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.728 HG11 ' HB3' ' A' ' 149' ' ' MET . 21.6 m -106.23 130.72 57.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.933 -0.576 . . . . 71.11 110.464 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 110' ' ' CYS . 13.5 p -91.77 -18.28 24.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.918 -0.583 . . . . 71.51 110.548 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.96 167.75 25.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.304 -0.862 . . . . 72.12 109.99 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.681 ' HA ' ' HG2' ' A' ' 149' ' ' MET . 0.0 OUTLIER -81.48 -21.83 38.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.687 -0.688 . . . . 75.33 112.03 -175.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.1 t -67.62 -40.2 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.795 0.331 . . . . 63.02 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -71.03 -36.07 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.813 0.301 . . . . 71.44 111.813 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.728 ' HB3' HG11 ' A' ' 143' ' ' VAL . 25.7 ptm -81.75 29.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 61.42 111.656 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 66.0 m -54.54 151.01 8.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.742 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.54 -24.77 57.95 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.343 0.497 . . . . 72.41 112.343 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -73.29 -34.29 65.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -63.98 -33.77 76.49 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.438 -0.105 . . . . 64.41 111.006 -173.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.38 -37.48 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 73.54 110.655 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.89 -52.19 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.421 -0.585 . . . . 61.32 109.421 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -63.6 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 73.52 110.952 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -69.87 -40.32 75.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.028 -0.533 . . . . 63.3 111.19 -177.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.5 tp -77.64 -10.86 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.041 0.448 . . . . 64.32 110.136 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.98 -41.88 3.19 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.825 -0.702 . . . . 54.22 113.347 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.46 -22.11 61.06 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.523 0.934 . . . . 65.15 113.523 -170.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.585 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -64.01 -39.5 94.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.84 -0.344 . . . . 70.44 111.649 -173.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.585 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.9 m-85 -125.03 11.74 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 73.02 111.074 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -114.55 -156.08 11.38 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.766 -0.731 . . . . 73.03 111.742 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.26 131.76 34.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 73.24 110.292 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 C--N 1.317 -0.827 0 CA-C-O 118.398 -0.81 . . . . 64.41 109.682 -179.045 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' HA ' ' SD ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.242 -0.651 . . . . 75.13 109.242 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -74.95 66.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 43.04 110.803 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m -126.13 -18.28 5.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 55.42 110.084 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.35 101.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.448 -0.882 . . . . 63.22 111.745 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.77 129.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.692 -0.484 . . . . 60.42 109.692 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 36.9 mtt -99.42 169.46 9.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.264 -0.426 . . . . 70.14 109.854 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.12 120.06 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.964 0.411 . . . . 72.1 111.236 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.91 136.02 83.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.919 -0.582 . . . . 70.1 110.154 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.87 -26.37 80.5 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.664 2.243 . . . . 62.1 111.311 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.26 -33.86 68.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.14 -0.936 . . . . 75.24 111.004 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.37 -46.98 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.208 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.03 -40.64 95.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.522 . . . . 72.01 110.926 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 m -59.72 -39.48 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 54.25 110.489 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.611 ' HB3' HD13 ' A' ' 28' ' ' ILE . 21.8 m -75.75 -19.01 59.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.484 -0.78 . . . . 63.3 111.221 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.8 m-85 -81.54 -43.09 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.958 0.409 . . . . 64.02 111.332 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -71.43 -14.33 62.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.838 0.31 . . . . 74.13 111.838 -174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.8 ptmm? -71.58 -18.24 62.25 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.847 -0.341 . . . . 72.01 111.211 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.2 pt? -123.87 -34.12 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.281 -0.568 . . . . 74.44 111.154 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -58.78 -53.99 52.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.996 0.427 . . . . 71.33 110.41 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -110.29 26.85 10.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.37 -0.604 . . . . 62.25 109.37 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.29 -124.51 2.77 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.733 -0.746 . . . . 74.41 113.009 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -99.36 15.87 24.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.976 0.362 . . . . 73.23 111.976 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 29.5 mtpp 52.15 -95.06 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.854 1.057 . . . . 72.43 113.854 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.669 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 3.3 mp0 -71.86 -6.53 42.37 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.08 0.4 . . . . 75.25 112.08 -170.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -92.7 121.81 34.48 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.336 -0.546 . . . . 75.32 110.78 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' N ' ' HB ' ' A' ' 44' ' ' THR . 65.0 mtt-85 54.85 116.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.255 -1.339 . . . . 61.51 112.261 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -98.14 178.68 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.32 -0.622 . . . . 70.44 109.32 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.676 HG13 ' HD1' ' A' ' 30' ' ' PHE . 5.0 tp -120.47 124.74 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.453 0.645 . . . . 73.1 111.882 -173.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -115.73 116.99 54.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.174 -0.921 . . . . 72.34 109.286 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.676 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.5 p90 -133.37 153.75 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 63.22 111.294 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -142.27 154.08 44.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.29 -0.414 . . . . 62.14 111.125 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mm -78.16 128.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.18 -0.464 . . . . 73.41 109.879 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -132.79 116.76 16.94 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.284 -0.635 . . . . 73.05 109.284 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 71.94 -64.42 0.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.003 0.814 . . . . 74.03 111.039 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -151.98 -46.61 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.585 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.674 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -93.81 164.33 13.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.732 -175.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.549 HG21 ' HD2' ' A' ' 30' ' ' PHE . 7.2 p -90.29 134.59 28.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.009 -0.541 . . . . 62.42 110.412 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.674 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.7 pt -118.65 154.3 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 70.54 110.52 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.71 122.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.894 -0.41 . . . . 54.34 109.894 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -95.75 -50.83 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.717 -0.393 . . . . 52.32 110.4 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.55 142.49 29.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.662 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.77 74.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.944 -0.761 . . . . 71.33 108.944 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.75 150.37 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.468 -0.787 . . . . 74.44 111.299 -172.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.662 ' HB ' ' N ' ' A' ' 26' ' ' ARG . 5.8 t -111.54 163.07 14.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.044 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 pt20 -65.22 -23.71 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.187 0.517 . . . . 53.21 110.077 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 7.9 t70 -57.59 -60.84 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.855 . . . . 73.3 110.488 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 44' ' ' THR . 18.9 pt20 -70.23 -21.68 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 70.42 110.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.549 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 45.1 tp -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.252 -0.886 . . . . 72.43 110.848 178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.38 -11.26 3.0 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.345 -0.931 . . . . 71.01 112.53 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.677 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.0 mm -85.81 179.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.171 -0.677 . . . . 72.13 109.171 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 50' ' ' ILE . 17.1 m -87.33 -32.9 19.4 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.18 0.808 . . . . 74.23 113.18 -168.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.72 -104.76 0.2 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 118.953 -1.594 . . . . 73.44 114.853 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 56' ' ' ASP . 4.7 m-20 -73.49 140.14 46.21 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.231 0.456 . . . . 71.4 112.231 -170.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.94 -64.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.736 -0.665 . . . . 72.33 112.588 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 13.2 t80 -99.29 -42.91 6.8 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.939 -0.704 . . . . 74.42 110.891 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.1 m-20 -52.25 -43.43 64.35 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.489 0.493 . . . . 63.32 111.415 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -114.62 14.45 17.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.051 0.453 . . . . 74.05 110.467 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m 60.79 24.18 14.1 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.015 0.746 . . . . 64.32 113.015 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.6 m -80.42 -0.02 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.292 . . . . 74.2 111.317 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -22.26 54.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.084 -0.507 . . . . 75.02 110.853 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.93 -23.29 1.89 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.876 -0.602 . . . . 72.13 111.431 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.78 -35.82 71.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 52.01 110.77 174.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -76.47 -23.34 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 72.43 110.674 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.17 -33.4 74.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 60.5 110.355 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -86.82 -23.92 25.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 75.43 110.86 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.4 m-85 -62.9 -44.78 95.16 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.425 -0.352 . . . . 60.33 111.525 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.794 HG12 ' HG3' ' A' ' 149' ' ' MET . 30.5 m -57.3 -30.13 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 63.42 111.682 -175.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.96 -38.62 20.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.442 -0.345 . . . . 65.41 111.367 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 3.5 t70 -65.83 -34.07 77.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.362 -0.607 . . . . 55.53 109.362 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 66' ' ' PHE . 76.1 t -57.48 -41.48 78.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.744 -0.662 . . . . 53.13 110.179 174.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.64 -50.71 70.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.429 0.633 . . . . 73.33 109.914 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -54.29 -37.23 64.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.601 -1.181 . . . . 72.43 111.903 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 31.7 mmt180 -85.55 -45.44 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.311 0.486 . . . . 75.43 112.311 -176.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 79' ' ' ASP . 79.1 p -84.25 -13.55 52.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.877 0.325 . . . . 45.5 111.877 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 68.56 -72.06 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.71 0.631 . . . . 62.5 111.012 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -134.88 56.37 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.959 -0.386 . . . . 74.23 109.959 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 111' ' ' PRO . 0.5 OUTLIER 41.94 42.03 2.14 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.217 -0.901 . . . . 62.31 112.851 177.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -93.84 12.24 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.35 0.595 . . . . 54.31 110.195 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.63 ' HB3' HG22 ' A' ' 74' ' ' THR . 23.7 t70 -125.97 142.44 51.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.11 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 p -134.88 149.92 50.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.043 -0.526 . . . . 72.31 109.865 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.505 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 17.9 ptt180 -161.92 167.87 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 73.24 110.942 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -116.12 128.84 55.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 75.24 110.075 -176.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.25 146.99 45.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.716 0.293 . . . . 60.05 110.707 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.5 t -133.19 130.27 57.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.093 0.473 . . . . 75.51 110.824 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -133.6 145.26 49.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.074 -0.713 . . . . 72.32 109.074 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.668 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 8.4 t70 -90.9 97.6 11.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.385 -1.339 . . . . 73.23 107.385 169.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -89.64 108.31 19.6 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.712 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.669 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -111.39 134.5 52.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 74.55 110.573 178.044 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.9 p90 -145.73 -172.83 3.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.095 -0.957 . . . . 71.33 109.268 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 18.5 p -126.26 136.55 52.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.017 0.436 . . . . 71.12 111.097 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 98' ' ' THR . 80.2 m -116.51 132.48 56.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.526 . . . . 63.42 110.526 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.7 m -72.03 103.89 3.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 65.04 109.81 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 59.8 ttt180 -83.7 135.28 34.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.912 -0.585 . . . . 74.23 110.598 -175.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.67 119.45 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 75.34 110.463 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.59 2.63 67.34 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.593 -0.73 . . . . 62.32 111.46 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.95 -159.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.183 -0.302 . . . . 72.04 110.183 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.68 -155.49 10.38 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.46 -0.656 . . . . 70.14 111.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 1.6 p -76.56 117.7 18.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.124 0.462 . . . . 73.41 110.561 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' THR . 12.9 m -101.97 141.27 35.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.046 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -74.97 130.43 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.154 -0.313 . . . . 72.42 110.154 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.1 mtt -135.16 111.13 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.185 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.4 p-10 -104.23 147.87 26.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.632 -0.713 . . . . 72.24 109.747 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 1.015 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.47 115.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 71.33 111.363 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.668 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 9.0 tt -65.49 121.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 73.43 109.981 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.543 HG21 HD21 ' A' ' 158' ' ' LEU . 23.0 pt -121.42 147.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.05 0.453 . . . . 73.44 111.618 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.561 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 48.7 m-85 -94.18 102.79 14.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.623 -0.717 . . . . 62.22 110.452 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HG ' ' HE1' ' A' ' 141' ' ' PHE . 8.9 tt -91.87 102.25 14.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.871 -0.604 . . . . 60.31 109.397 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 110' ' ' CYS . 50.0 tp60 -96.92 112.1 24.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.874 -0.603 . . . . 64.22 110.55 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -79.46 105.09 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.108 -0.701 . . . . 65.41 109.108 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.451 ' HB2' HE21 ' A' ' 108' ' ' GLN . 48.5 t -146.36 90.61 5.61 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.998 -0.546 . . . . 61.13 110.084 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.891 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 20.1 Cg_exo -67.24 157.66 60.69 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.582 2.188 . . . . 65.43 111.947 177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.42 -56.05 4.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.921 -0.399 . . . . 54.52 109.921 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.93 53.33 4.72 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 65.04 111.536 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -113.28 177.23 4.7 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.705 0.288 . . . . 74.3 110.882 -176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.3 m -66.33 89.72 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.756 -0.656 . . . . 54.41 110.137 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.57 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 72.6 mt -52.82 -31.31 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 O-C-N 123.742 0.651 . . . . 74.33 112.417 -171.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -55.31 -65.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.729 0.299 . . . . 73.45 111.196 -178.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -79.5 -21.28 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 75.43 110.833 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 116' ' ' ILE . 29.7 tttp -65.38 -38.99 91.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.343 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.508 ' SD ' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -76.28 -22.06 55.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 70.54 110.058 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.2 t -63.61 -43.08 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.453 -0.573 . . . . 45.43 109.453 175.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 31.1 m-85 -67.15 -26.61 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 73.51 111.802 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.11 75.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.387 0.613 . . . . 71.25 109.758 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 m -77.64 -31.38 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 61.05 109.823 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 m -67.59 -34.17 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.831 -0.622 . . . . 71.52 111.107 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.498 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -60.35 -39.48 87.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.018 0.437 . . . . 65.1 110.589 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.73 -38.11 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 75.35 110.321 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.71 -51.11 53.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 45.35 111.105 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.0 tp -61.14 -33.0 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.089 0.471 . . . . 62.24 110.178 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 130' ' ' LYS . 19.5 ttpt -65.39 -46.47 79.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 63.2 110.204 176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.7 m -66.93 -38.26 85.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.654 . . . . 55.22 111.212 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 p -69.0 -31.46 70.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.866 0.321 . . . . 72.53 111.866 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 11.0 mp -99.21 -28.08 13.51 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.391 -0.524 . . . . 73.35 112.034 -177.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 47.04 50.1 16.54 Favored Glycine 0 CA--C 1.521 0.46 0 O-C-N 123.388 0.43 . . . . 50.31 112.851 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.579 HG21 HG23 ' A' ' 138' ' ' ILE . 3.5 m -66.08 -46.18 78.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.388 . . . . 45.43 111.599 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.27 7.39 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 121.058 -0.592 . . . . 75.13 112.598 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -153.44 114.93 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.917 0.389 . . . . 63.42 110.577 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.579 HG23 HG21 ' A' ' 135' ' ' THR . 1.1 pp -150.69 159.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 75.14 110.138 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -97.28 98.94 10.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.495 -0.928 . . . . 71.25 108.495 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -104.15 119.34 38.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.445 -0.798 . . . . 65.43 109.184 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.591 ' HE1' ' HG ' ' A' ' 107' ' ' LEU . 9.4 p90 -132.38 143.78 50.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.031 -0.531 . . . . 74.02 110.856 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -97.65 111.15 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 71.33 109.673 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.508 HG13 ' HD1' ' A' ' 141' ' ' PHE . 35.7 m -104.87 150.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.756 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.875 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.6 p -140.43 -46.0 0.41 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.003 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.39 154.31 26.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.057 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.458 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 12.7 pt-20 -53.23 -39.46 63.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 64.42 111.291 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -64.01 -38.98 93.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.562 -0.29 . . . . 64.42 110.857 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.445 ' HB3' HG12 ' A' ' 143' ' ' VAL . 46.6 mt-10 -65.41 -34.24 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.554 . . . . 61.44 110.895 -177.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.794 ' HG3' HG12 ' A' ' 67' ' ' VAL . 23.9 ptp -95.96 12.72 29.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 70.15 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.2 m -92.54 164.65 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 72.24 111.084 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -60.85 -25.59 66.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 63.13 111.911 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -65.96 -58.96 4.34 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.625 0.231 . . . . 71.52 111.625 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 4.5 mm-40 -64.38 -38.54 91.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.755 0.28 . . . . 64.44 111.755 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.7 mt -59.95 -41.39 91.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.795 0.331 . . . . 73.25 110.566 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.23 -37.67 72.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.219 -0.446 . . . . 72.14 109.894 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.02 -49.15 77.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.667 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 10.6 mptt -66.33 -48.53 69.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.674 0.75 . . . . 73.42 110.73 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.543 HD21 HG21 ' A' ' 105' ' ' ILE . 38.5 mt -67.51 -15.35 63.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.236 -0.893 . . . . 71.05 111.694 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -90.99 -39.27 5.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.477 -0.868 . . . . 44.53 112.323 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 13.7 pt-20 -69.56 -32.74 71.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.902 0.351 . . . . 72.42 111.3 -177.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.758 ' HG3' ' H ' ' A' ' 162' ' ' TYR . 16.1 pttp -48.1 -63.79 0.97 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.451 0.469 . . . . 62.31 112.242 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.758 ' H ' ' HG3' ' A' ' 161' ' ' LYS . 48.6 m-85 -122.9 24.2 9.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.115 0.484 . . . . 75.31 110.931 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -108.66 -78.17 1.05 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.747 -0.74 . . . . 61.14 111.618 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -158.61 127.06 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.953 -0.388 . . . . 62.44 109.953 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 67.9 m80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.569 -0.729 . . . . 64.23 110.583 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' CB ' ' HB3' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.449 0.166 . . . . 63.02 111.033 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -81.44 36.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.499 0.666 . . . . 45.4 109.951 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -90.05 -16.73 29.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.362 -0.835 . . . . 62.23 111.215 -173.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 92.28 0.76 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.274 -0.965 . . . . 63.34 111.921 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.75 128.45 38.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.79 0.328 . . . . 73.35 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 23.5 ptm -107.08 153.98 21.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.301 -0.409 . . . . 73.25 110.163 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.711 HG12 ' HB ' ' A' ' 37' ' ' VAL . 31.5 m -117.0 143.81 26.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.607 -0.269 . . . . 64.4 110.363 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.82 151.61 91.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.469 -0.567 . . . . 75.13 109.469 178.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.14 -34.53 87.98 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.03 2.486 . . . . 55.14 114.105 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.6 -10.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.878 -0.329 . . . . 72.31 111.788 -169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' ASP . 32.7 m -58.55 -49.55 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.897 -0.721 . . . . 73.11 109.411 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.876 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 44.3 mt-30 -71.94 -35.54 69.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.563 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.624 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 10.4 m -59.71 -31.97 70.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.055 -0.521 . . . . 75.25 110.288 176.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.574 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 68.8 m -79.21 -32.44 44.02 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.342 -0.39 . . . . 64.14 111.482 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.876 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 51.9 m-85 -62.2 -40.49 96.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.518 0.675 . . . . 73.13 109.962 175.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.42 -15.99 53.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.449 -0.796 . . . . 73.53 110.385 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 13' ' ' THR . 29.6 ttmt -73.91 -28.26 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 74.33 110.772 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 3.6 pp -93.21 -31.35 14.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.909 0.385 . . . . 72.32 110.614 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 m -76.77 -10.44 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 55.54 112.124 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.72 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.26 0.467 . . . . 53.42 112.26 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.26 -84.57 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.875 -1.155 . . . . 54.41 113.685 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.9 tpt180 -94.2 -18.97 21.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.789 0.292 . . . . 71.42 111.789 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.1 mtpm? 74.1 -44.68 0.57 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.913 0.485 . . . . 73.22 110.101 -173.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.19 18.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 74.43 110.643 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -75.78 -166.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.669 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.746 ' HD3' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -40.31 125.17 2.04 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.71 0.631 . . . . 64.41 111.642 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 80.6 m-85 -97.0 163.47 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.0 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.591 HG13 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -107.04 113.95 44.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.788 -0.642 . . . . 72.33 111.507 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mm -109.56 122.38 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.282 -0.872 . . . . 71.22 109.062 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HG13 ' A' ' 28' ' ' ILE . 3.7 p90 -137.63 142.55 41.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.381 0.61 . . . . 74.02 112.156 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mptm? -127.27 178.33 6.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.566 -0.743 . . . . 73.0 110.52 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.441 HD11 ' OG ' ' A' ' 125' ' ' SER . 13.3 mm -92.56 123.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.915 -0.584 . . . . 71.15 110.539 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 38' ' ' ILE . 17.1 t70 -108.5 96.26 6.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.86 -0.793 . . . . 73.44 108.86 173.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 68.05 -69.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.395 -0.821 . . . . 74.2 111.351 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.47 -14.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.937 0.347 . . . . 72.34 111.937 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -116.81 154.35 30.88 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.986 -0.686 . . . . 74.04 111.517 -177.444 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.711 ' HB ' HG12 ' A' ' 7' ' ' VAL . 40.9 t -90.05 121.95 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.654 -0.703 . . . . 61.33 109.965 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -119.77 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.853 0.359 . . . . 71.14 110.739 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.22 121.1 14.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.961 -0.563 . . . . 54.42 110.478 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -91.29 -55.76 3.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.052 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.21 141.08 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 64.45 111.194 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.88 81.09 1.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.635 -0.711 . . . . 75.5 109.117 172.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -134.63 141.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.877 -0.601 . . . . 62.45 110.79 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 47' ' ' GLN . 3.6 t -100.75 156.78 17.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.363 -0.38 . . . . 61.22 110.029 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.765 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 10.8 pt20 -68.96 -19.3 64.16 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 120.882 0.372 . . . . 74.12 110.312 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.12 -53.57 56.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.796 -0.638 . . . . 63.24 110.346 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.656 ' H ' HG23 ' A' ' 44' ' ' THR . 4.2 pt20 -80.31 -17.48 51.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.386 -0.37 . . . . 75.42 110.653 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 55.6 tp -65.63 -15.65 62.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.8 -0.636 . . . . 75.25 110.352 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.88 36.5 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.837 -0.697 . . . . 74.53 112.023 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 51' ' ' THR . 16.1 mm -92.35 171.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.087 -0.709 . . . . 72.44 109.087 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.606 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.1 m -58.25 -59.5 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.716 0.265 . . . . 65.03 111.716 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.23 -91.71 0.13 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 63.14 112.127 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.733 ' HB2' ' H ' ' A' ' 57' ' ' ASP . 1.7 m-20 -65.32 133.89 52.39 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.685 -0.487 . . . . 74.55 109.685 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.18 -64.53 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.118 0.785 . . . . 75.12 113.118 -172.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.997 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 12.1 t80 -109.32 -17.12 13.89 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.543 -0.723 . . . . 70.24 110.528 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.19 -55.66 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.1 -0.5 . . . . 74.21 110.678 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.733 ' H ' ' HB2' ' A' ' 53' ' ' ASP . 37.0 t0 -94.93 7.2 46.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.355 0.598 . . . . 75.11 109.627 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.0 m 61.72 83.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 64.34 112.186 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -125.85 2.49 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.695 -0.684 . . . . 64.22 110.268 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -54.94 -24.95 26.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.856 -0.611 . . . . 61.41 111.209 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.09 -27.2 63.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.213 -0.449 . . . . 45.21 111.275 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.52 81.23 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.069 0.461 . . . . 60.14 110.008 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 99.5 m-85 -79.8 -22.37 43.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.816 -0.629 . . . . 73.43 110.351 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -38.94 92.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.709 -0.678 . . . . 75.44 110.156 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.04 -22.38 25.51 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.866 0.365 . . . . 72.04 110.384 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.686 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 73.5 t80 -58.8 -49.17 78.69 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 123.181 0.592 . . . . 73.5 111.29 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 149' ' ' MET . 33.8 m -60.32 -24.68 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 74.42 110.963 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 27.5 mm-40 -77.54 -49.85 13.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.091 -0.504 . . . . 52.03 111.0 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 24.8 t70 -57.08 -42.85 81.46 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.304 -0.628 . . . . 70.4 109.304 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.543 HG13 HH22 ' A' ' 81' ' ' ARG . 73.5 t -57.68 -51.63 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.468 -0.787 . . . . 75.04 110.832 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -72.48 -20.23 61.41 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.939 -0.705 . . . . 74.45 111.019 -173.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 m -75.31 -49.77 18.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.538 -0.301 . . . . 74.35 110.868 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 13.0 ptm180 -73.74 -31.59 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.986 0.422 . . . . 72.33 111.201 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -76.81 -27.56 55.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 71.43 109.858 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.9 t70 64.49 -77.33 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.263 -0.881 . . . . 70.03 111.028 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -105.05 -76.63 0.6 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.903 -0.406 . . . . 64.41 109.903 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -165.03 31.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.387 0.613 . . . . 62.32 109.707 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -81.66 -49.15 10.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.457 -0.792 . . . . 72.51 111.38 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -77.4 140.95 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.03 0.443 . . . . 73.41 110.525 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 p -156.05 145.29 20.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.946 -0.57 . . . . 71.53 109.806 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.543 HH22 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -162.99 168.33 21.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.994 0.426 . . . . 63.42 111.806 -176.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 36.6 m-85 -114.1 141.87 46.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.289 -0.869 . . . . 72.53 110.466 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -149.4 157.55 43.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.457 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.517 HG21 ' HE1' ' A' ' 15' ' ' PHE . 84.4 t -136.91 131.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.508 -0.315 . . . . 62.52 110.454 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.79 147.06 49.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.18 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.775 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 23.0 t70 -95.64 100.48 12.21 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.869 -0.789 . . . . 64.01 108.869 171.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' HE1' ' CZ ' ' A' ' 63' ' ' PHE . 32.9 m-85 -91.29 145.94 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.208 0.528 . . . . 63.2 112.285 -175.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 100' ' ' LYS . 36.7 ttmt -128.38 116.62 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.388 -0.823 . . . . 73.42 109.903 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.997 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.6 p90 -126.54 177.42 6.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.893 0.377 . . . . 72.23 110.874 -173.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -127.88 122.67 33.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 72.22 109.932 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 89' ' ' PHE . 50.2 t -109.19 141.51 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.352 -0.386 . . . . 75.23 110.513 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 p -72.83 117.11 14.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 24.21 109.841 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.669 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 2.5 tmt_? -94.01 121.17 35.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.298 -0.631 . . . . 63.23 109.298 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.08 113.53 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.268 -0.424 . . . . 72.12 110.158 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.57 7.87 58.79 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.803 -0.713 . . . . 51.22 112.078 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -147.57 -160.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.972 -0.381 . . . . 72.33 109.972 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.95 -153.44 25.37 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.625 -0.798 . . . . 61.13 112.145 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 p -81.34 121.03 25.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.144 0.497 . . . . 60.12 111.01 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -95.19 111.52 23.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.609 . . . . 33.35 110.992 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.774 ' HD3' ' HD3' ' A' ' 88' ' ' LYS . 6.3 tmmm? -85.79 116.66 24.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.006 -0.543 . . . . 75.52 109.797 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.8 mtt -135.9 156.82 48.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.153 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.5 p30 -127.77 153.0 47.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.462 -0.335 . . . . 73.4 110.321 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.746 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -165.58 122.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.91 0.386 . . . . 61.33 111.484 176.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.775 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 14.7 tt -69.82 132.43 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.672 -0.694 . . . . 62.34 110.064 174.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 87' ' ' PHE . 32.4 pt -137.22 158.63 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 75.42 112.044 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.693 ' HB3' ' HG2' ' A' ' 140' ' ' GLN . 2.8 m-85 -86.72 132.31 33.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.153 -0.931 . . . . 74.25 111.4 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 83' ' ' ALA . 7.5 tt -112.56 104.24 12.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.513 -0.767 . . . . 65.14 109.751 177.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.542 HE21 ' HB3' ' A' ' 110' ' ' CYS . 45.6 tt0 -102.31 104.69 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 72.43 111.105 176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 107' ' ' LEU . 64.7 mt -91.21 93.08 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.91 -0.774 . . . . 64.04 108.91 171.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.542 ' HB3' HE21 ' A' ' 108' ' ' GLN . 51.6 t -133.53 97.21 16.12 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.32 -0.4 . . . . 75.43 110.973 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.747 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 40.6 Cg_exo -60.93 120.27 7.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.024 2.483 . . . . 73.4 111.424 173.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 33.5 t70 -73.26 -25.58 60.75 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.638 -0.425 . . . . 61.2 110.799 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.11 10.9 66.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 54.44 112.264 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -79.18 176.78 9.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 62.51 110.859 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.2 m -57.45 107.4 0.43 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 42.31 110.959 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 86.3 mt -56.85 -43.21 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.276 0.843 . . . . 71.35 113.276 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.77 -51.24 70.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 53.35 111.385 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -85.21 -21.2 29.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.476 -0.329 . . . . 64.42 110.858 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 32.4 ttpt -64.52 -39.79 94.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.466 -0.568 . . . . 63.44 109.466 174.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.463 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 53.6 mtt -59.79 -33.38 71.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.507 -0.77 . . . . 72.23 110.546 177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.56 -48.94 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 75.12 110.117 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 75.11 111.067 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.23 89.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 64.34 110.697 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 m -69.72 -22.66 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 52.32 110.571 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' ILE . 21.2 m -71.57 -31.8 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.726 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.59 86.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.092 0.472 . . . . 61.24 110.616 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.44 -39.68 77.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 33.14 110.538 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.92 -54.79 25.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 61.45 111.653 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' HD13 ' A' ' 133' ' ' LEU . 5.4 tp -60.29 -31.75 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.452 -0.34 . . . . 64.22 110.718 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -71.86 -43.57 65.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.978 -0.379 . . . . 74.4 109.978 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.7 m -58.75 -39.08 79.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 65.52 111.421 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 p -69.29 -38.57 78.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.398 -0.365 . . . . 71.43 111.609 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 15' ' ' PHE . 11.2 mp -88.67 -26.61 21.76 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.67 -0.412 . . . . 74.02 111.986 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.46 -90.5 0.54 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.794 -0.717 . . . . 64.03 111.388 -174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.7 p 45.53 -102.11 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.76 0.824 . . . . 53.42 112.718 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.55 -24.37 32.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.105 -0.569 . . . . 55.32 112.884 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.601 ' H ' ' HD3' ' A' ' 137' ' ' LYS . 0.2 OUTLIER -101.67 32.18 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.309 0.576 . . . . 73.34 110.638 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.4 pp -109.97 161.87 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.425 -0.807 . . . . 62.15 110.074 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 161' ' ' LYS . 3.0 mm? -101.09 138.66 37.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.321 -0.622 . . . . 73.01 109.321 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -132.33 112.52 12.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 65.44 110.031 -175.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 107' ' ' LEU . 37.4 p90 -110.9 131.62 54.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 74.32 110.657 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -102.75 115.03 29.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.621 -0.718 . . . . 74.44 109.874 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 141' ' ' PHE . 33.7 m -119.94 149.36 22.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.203 -0.453 . . . . 62.04 111.537 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 17.5 p -138.15 2.95 2.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.781 -0.645 . . . . 52.22 110.802 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.97 151.03 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 74.44 110.476 -175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.725 ' HA ' ' HE2' ' A' ' 149' ' ' MET . 7.1 pt-20 -63.13 -41.06 99.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.258 0.466 . . . . 55.11 112.258 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.5 t -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.224 0.535 . . . . 63.51 110.357 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.3 2.64 20.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.838 -0.619 . . . . 74.25 111.889 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.725 ' HE2' ' HA ' ' A' ' 146' ' ' GLU . 26.6 ptt? -125.89 14.35 7.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.272 0.558 . . . . 75.04 110.14 175.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.6 m -75.91 169.7 17.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 63.31 110.405 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -57.0 -26.66 60.61 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.256 0.465 . . . . 63.34 112.256 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -55.25 -48.66 73.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.767 0.318 . . . . 73.33 110.838 172.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -59.1 -46.24 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.815 -0.63 . . . . 65.24 111.708 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 99.1 mt -58.31 -45.93 87.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 72.21 110.595 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 155' ' ' LEU . 4.6 tt -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.628 -0.508 . . . . 75.52 109.628 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -55.77 -59.64 4.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.779 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' HG2' ' A' ' 160' ' ' GLU . 3.8 mptp? -74.81 -22.74 58.56 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.585 0.707 . . . . 74.02 110.783 -174.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 154' ' ' LEU . 1.4 mp -70.51 -30.21 66.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.46 -0.791 . . . . 74.14 110.639 175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.34 -52.39 2.03 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.678 -0.772 . . . . 64.21 112.937 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 157' ' ' LYS . 11.0 pt-20 -52.78 -41.92 64.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.888 1.07 . . . . 75.2 113.888 -168.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 139' ' ' LEU . 0.8 OUTLIER -66.36 -18.8 65.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.627 0.603 . . . . 65.45 112.627 -172.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -122.49 -48.31 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.647 0.61 . . . . 60.5 112.647 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -96.11 -121.08 3.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.467 -0.873 . . . . 73.54 113.788 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.28 139.77 36.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.788 0.328 . . . . 71.21 111.031 -174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 160' ' ' GLU . 9.3 p80 . . . . . 0 C--O 1.245 0.866 0 CA-C-N 115.986 -0.552 . . . . 72.34 110.673 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HG3' HG22 ' A' ' 121' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 108.685 -0.857 . . . . 72.24 108.685 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -87.45 31.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.432 -0.804 . . . . 52.43 111.861 -170.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.483 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 14.2 m -99.26 -5.32 30.05 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.822 0.344 . . . . 71.21 110.296 177.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.67 89.52 1.43 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.202 -0.999 . . . . 30.03 112.993 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.01 123.97 39.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.882 -0.784 . . . . 72.53 108.882 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.438 ' HG3' ' CB ' ' A' ' 36' ' ' LYS . 23.8 ptt? -101.36 171.08 7.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.9 0.381 . . . . 62.43 110.932 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 132' ' ' SER . 7.7 p -115.8 129.19 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.275 -0.421 . . . . 62.41 111.154 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 10' ' ' ASP . 19.9 t70 -65.09 137.35 97.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 65.14 110.498 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.38 -36.39 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.146 2.564 . . . . 73.3 113.568 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 4.0 m-20 -68.79 -17.7 64.07 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.745 0.276 . . . . 74.31 111.745 -174.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 37' ' ' VAL . 91.0 t -58.95 -50.47 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 75.04 109.722 174.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -66.97 -35.62 80.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 74.3 110.689 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -64.07 -26.24 68.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.304 0.573 . . . . 62.12 110.77 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' HD13 ' A' ' 28' ' ' ILE . 50.9 m -84.38 -28.04 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 70.51 110.891 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.683 ' HE1' HG11 ' A' ' 84' ' ' VAL . 24.5 m-85 -71.13 -28.15 64.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.49 -0.323 . . . . 70.21 110.508 174.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.2 mm100 -57.85 -54.21 49.49 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.42 112.229 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -65.05 -6.6 9.18 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 54.51 111.65 -175.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 86' ' ' ASP . 9.6 tt -97.52 -56.36 2.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.565 -0.532 . . . . 51.12 109.565 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -71.06 -44.26 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.887 -0.597 . . . . 73.1 112.065 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 8.0 pt-20 -91.83 3.25 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 74.15 109.507 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.25 -117.17 1.82 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.352 -0.84 . . . . 61.25 111.108 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -111.26 -70.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.901 -0.32 . . . . 72.4 110.854 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.73 ' HG3' ' H ' ' A' ' 24' ' ' GLU . 17.8 pttp 175.83 -73.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.647 -0.706 . . . . 75.25 110.273 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 22.4 mt-10 -81.49 23.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 72.35 111.199 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' C ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -71.7 -169.21 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.977 -0.556 . . . . 75.33 109.985 178.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HA ' ' N ' ' A' ' 44' ' ' THR . 3.1 ptm180 -58.04 119.35 6.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.083 -0.34 . . . . 70.31 110.083 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -99.25 178.23 4.96 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.896 -0.721 . . . . 74.2 111.161 -176.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.77 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -111.32 132.25 60.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.607 -0.724 . . . . 71.42 112.203 -164.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 119.96 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.482 -0.933 . . . . 74.32 108.482 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' A' ' 28' ' ' ILE . 4.1 p90 -138.07 147.23 43.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.493 0.663 . . . . 75.21 112.54 -174.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HE3' ' HD3' ' A' ' 81' ' ' ARG . 4.8 mptt -133.55 176.82 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.076 -0.965 . . . . 73.12 109.865 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG12 ' CE1' ' A' ' 122' ' ' TYR . 28.1 mm -88.71 131.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.307 0.575 . . . . 73.34 111.424 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.487 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.0 t70 -125.42 115.43 20.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.25 -0.886 . . . . 74.45 108.961 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 67.5 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.458 0.474 . . . . 72.21 110.972 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -150.5 18.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.465 0.65 . . . . 71.44 110.287 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -142.97 155.43 44.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.748 -0.464 . . . . 75.42 109.748 174.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.742 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.1 p -85.3 134.74 26.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.309 -0.405 . . . . 61.22 110.632 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.0 pt -121.08 160.41 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 54.41 111.148 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 28' ' ' ILE . 95.6 t -84.4 120.85 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.922 -0.581 . . . . 54.53 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -91.62 -51.07 5.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.907 -0.588 . . . . 75.14 110.158 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.33 145.92 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 45.31 111.858 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -129.17 92.2 3.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.439 -0.8 . . . . 62.11 108.948 170.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 47' ' ' GLN . 7.6 p -146.85 141.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 75.0 110.742 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.536 ' HB ' ' C ' ' A' ' 25' ' ' TYR . 5.1 t -99.99 159.76 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.569 . . . . 70.31 109.465 175.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.618 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 27.9 pt20 -67.88 -23.02 65.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.479 -0.489 . . . . 54.44 110.23 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.47 -46.04 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.188 -0.914 . . . . 74.22 111.396 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 43' ' ' VAL . 3.1 pt20 -91.78 -11.61 36.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 72.22 112.543 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 3.8 pp -84.99 -14.51 47.24 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.128 -0.629 . . . . 70.43 110.874 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.87 -17.14 2.8 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.296 -0.954 . . . . 60.24 113.097 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG12 HD11 ' A' ' 48' ' ' LEU . 24.1 mm -86.45 167.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.222 -0.659 . . . . 65.21 109.222 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.455 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -63.92 -43.24 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.946 0.35 . . . . 74.31 111.946 -177.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.82 -65.17 0.6 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.017 -1.087 . . . . 74.03 113.955 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 8.3 t70 -65.97 130.67 44.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 122.304 0.241 . . . . 62.21 110.728 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.15 -65.73 0.65 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.434 0.901 . . . . 63.31 113.434 -167.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.604 ' CB ' ' HA ' ' A' ' 89' ' ' PHE . 2.0 t80 -122.28 -16.96 7.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.176 -0.609 . . . . 74.45 112.334 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.55 -34.02 41.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.836 -0.802 . . . . 74.34 108.836 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 1.2 t70 -93.99 -25.55 17.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.938 -1.028 . . . . 54.42 109.829 170.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t 77.98 52.8 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.708 -1.133 . . . . 63.33 111.248 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -76.93 2.24 15.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.721 0.772 . . . . 70.35 109.027 168.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 3.2 tmmm? -44.89 -28.48 0.66 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.119 -1.4 . . . . 74.34 111.825 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.15 -23.9 66.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.143 0.423 . . . . 63.5 112.143 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.009 0.433 . . . . 75.1 111.543 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -61.7 -22.9 65.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 74.11 111.611 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.49 -34.9 78.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 63.23 111.032 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.95 -31.74 19.25 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.524 -0.47 . . . . 75.43 111.159 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 70' ' ' VAL . 24.5 m-85 -57.83 -44.57 86.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.87 0.322 . . . . 72.25 111.87 -177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.694 HG12 ' HG3' ' A' ' 149' ' ' MET . 28.2 m -58.44 -30.33 40.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.438 . . . . 63.41 111.568 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -81.57 -45.88 15.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 54.11 110.153 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.621 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 6.7 t0 -55.24 -46.18 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.935 -0.765 . . . . 63.21 108.935 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 66' ' ' PHE . 77.3 t -56.74 -46.38 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.268 -0.878 . . . . 74.21 111.503 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -78.68 -29.89 45.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.01 -1.076 . . . . 65.31 110.983 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -70.12 -38.32 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.619 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -84.0 -13.52 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.882 -178.345 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -83.77 -37.35 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.034 -0.266 . . . . 72.02 111.118 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 68.5 -73.1 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.661 0.615 . . . . 64.43 112.661 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -84.76 -4.78 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.822 0.305 . . . . 74.32 111.822 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.9 mt 61.97 21.19 12.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.571 0.544 . . . . 72.4 111.752 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -96.14 30.02 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.897 0.379 . . . . 62.42 111.245 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -102.98 142.54 33.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 75.23 111.054 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.9 m -143.84 139.68 29.41 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.733 -1.21 . . . . 65.3 107.733 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 109' ' ' ILE . 13.3 ptp180 -162.94 175.86 10.75 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.307 -0.557 . . . . 52.44 111.245 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' A' ' 126' ' ' ALA . 47.7 m-85 -124.47 129.1 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.396 -0.82 . . . . 75.31 110.042 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.39 136.62 43.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.401 -0.592 . . . . 51.44 109.401 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.683 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.8 t -123.31 130.32 74.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.531 -0.467 . . . . 65.13 111.364 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.82 143.49 45.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.582 -0.735 . . . . 75.01 109.447 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.697 ' HB2' HD21 ' A' ' 18' ' ' LEU . 11.8 t70 -99.66 100.16 11.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.884 -1.154 . . . . 75.24 107.884 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 105' ' ' ILE . 6.1 m-85 -99.55 141.56 32.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 61.1 111.782 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.97 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 4.0 ttpp -119.41 117.53 28.73 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.289 -0.869 . . . . 75.11 110.831 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 4.2 p90 -121.59 172.98 7.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.581 -0.736 . . . . 64.35 110.23 -174.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 21.7 p -132.41 132.22 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.079 -0.509 . . . . 63.15 110.481 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -129.22 142.81 50.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.249 -0.432 . . . . 74.01 109.902 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -60.38 117.22 4.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.401 . . . . 54.42 111.35 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.578 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 56.6 ttt180 -88.76 136.33 33.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 73.04 109.591 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.92 114.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.152 0.501 . . . . 71.24 111.097 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.88 13.78 81.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.908 -0.663 . . . . 73.11 112.584 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -146.72 -166.56 2.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.36 -0.237 . . . . 73.24 110.36 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.66 -142.77 10.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.977 -0.63 . . . . 60.21 112.579 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.766 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 25.8 p -88.44 118.29 27.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.885 0.374 . . . . 73.51 111.366 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 90' ' ' THR . 16.0 m -70.11 113.46 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 74.51 109.745 175.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HD2' ' A' ' 88' ' ' LYS . 28.1 ttpt -100.98 112.82 25.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.26 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 62.5 mtt -131.41 139.71 49.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 63.33 110.469 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.97 ' HB3' ' HB2' ' A' ' 88' ' ' LYS . 1.4 p30 -125.54 130.21 51.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 64.01 110.259 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.901 ' HA ' ' NZ ' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -162.35 154.24 18.69 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.985 0.898 . . . . 73.25 112.555 177.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.66 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 3.7 tt -76.48 128.89 37.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 113.709 -1.587 . . . . 64.44 112.011 -174.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.758 HG22 ' HB2' ' A' ' 139' ' ' LEU . 24.6 pt -123.09 135.94 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.501 -0.772 . . . . 75.25 111.021 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HE1' HG21 ' A' ' 138' ' ' ILE . 41.3 m-85 -87.87 114.14 24.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.419 -0.809 . . . . 71.42 110.376 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.1 102.5 14.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.112 -0.699 . . . . 64.33 109.112 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -97.22 113.42 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 73.34 110.523 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.745 HD12 ' HG2' ' A' ' 81' ' ' ARG . 58.1 mt -86.28 109.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.548 -0.538 . . . . 74.43 109.548 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 119' ' ' LYS . 50.5 t -140.62 87.36 11.55 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.541 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.881 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 27.0 Cg_exo -65.39 137.29 50.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.877 2.384 . . . . 73.32 111.309 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.31 -55.72 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.163 -0.31 . . . . 73.31 110.163 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 44.63 3.35 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.782 -0.645 . . . . 75.41 112.199 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.881 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -102.89 176.6 5.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.746 0.308 . . . . 65.11 110.307 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 118' ' ' LYS . 52.8 m -66.33 103.92 1.11 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.751 -0.659 . . . . 70.24 110.36 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 120' ' ' MET . 86.1 mt -53.44 -43.12 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 42.23 112.631 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -52.92 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.738 -0.385 . . . . 65.3 111.84 -174.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.658 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 22.1 ptmt -68.48 -34.43 75.91 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 74.54 110.169 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.653 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 36.2 ttpt -70.66 -32.36 69.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.213 0.53 . . . . 70.33 109.669 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.9 ttt -64.77 -34.0 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 74.4 109.904 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 1' ' ' MET . 58.0 t -63.58 -47.88 89.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.075 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.491 ' CE1' HG12 ' A' ' 32' ' ' ILE . 56.9 m-85 -62.8 -39.39 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.832 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.11 -32.43 69.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.516 . . . . 42.14 110.831 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 m -77.12 -18.22 58.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 71.35 110.334 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 32' ' ' ILE . 13.6 m -79.77 -30.29 40.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 75.23 110.9 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -52.96 -45.02 67.56 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.904 0.383 . . . . 74.33 110.993 176.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.27 92.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.907 -0.588 . . . . 65.24 110.819 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.52 47.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.942 -0.572 . . . . 73.12 111.546 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.445 HD11 HG11 ' A' ' 11' ' ' VAL . 3.5 tp -62.16 -32.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.165 0.507 . . . . 73.41 110.756 -175.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -72.87 -40.45 65.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.126 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 61.0 m -68.05 -40.38 82.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 73.01 110.772 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 7' ' ' VAL . 15.6 p -66.56 -26.92 67.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.614 -0.266 . . . . 74.45 111.23 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.559 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.9 mp -95.89 -15.41 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.862 -0.335 . . . . 73.13 111.129 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.4 26.62 74.38 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.99 -0.55 . . . . 63.02 112.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.5 m 68.07 -76.82 0.05 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.802 0.441 . . . . 75.12 110.846 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.31 78.45 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.08 -0.581 . . . . 74.24 112.748 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? 60.63 91.65 0.05 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.113 0.565 . . . . 73.14 111.148 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 104' ' ' ILE . 2.6 pp -134.68 169.06 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.759 -0.655 . . . . 73.1 110.829 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.758 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.0 mm? -117.9 146.66 43.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.962 -0.755 . . . . 74.25 108.962 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.04 131.93 31.39 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 72.03 109.828 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 105' ' ' ILE . 51.2 p90 -137.28 143.09 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.181 -0.463 . . . . 71.01 110.248 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -103.18 124.71 49.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 74.04 110.414 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.6 m -115.48 140.13 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.257 -0.429 . . . . 71.0 110.681 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.498 ' HB3' ' HA ' ' A' ' 111' ' ' PRO . 11.5 m -122.59 -33.97 3.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.92 -0.582 . . . . 75.2 109.944 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -107.81 154.76 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 53.12 110.222 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -71.88 -21.7 61.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.05 0.389 . . . . 55.31 112.05 -175.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 49.5 m -74.01 -17.56 60.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.954 0.406 . . . . 73.02 110.813 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.26 -22.84 28.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.908 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.694 ' HG3' HG12 ' A' ' 67' ' ' VAL . 22.9 ptp -96.16 14.43 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 73.53 110.199 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.5 m -81.1 167.08 20.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 71.11 110.538 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.409 ' CB ' ' HG2' ' A' ' 60' ' ' LYS . 7.5 p80 -63.62 -29.87 71.05 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.082 0.771 . . . . 74.1 113.082 -172.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -65.92 -45.19 82.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.872 -0.331 . . . . 75.24 110.987 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 20.6 mm-40 -72.24 -30.82 65.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.801 0.297 . . . . 61.42 111.801 -176.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.97 -46.3 88.37 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.669 -0.493 . . . . 62.33 109.669 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.515 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.5 tt -62.91 -40.38 97.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 71.44 109.792 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -55.52 -55.13 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 71.01 111.422 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 42.1 mmtt -69.03 -39.31 79.29 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.366 0.603 . . . . 60.52 110.248 -175.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.09 -15.05 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 72.11 110.442 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.69 -44.06 3.76 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.087 -0.577 . . . . 44.0 112.365 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.596 ' HB3' ' HB3' ' A' ' 165' ' ' HIS . 2.9 pp20? -70.95 -12.48 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.573 -0.369 . . . . 72.12 111.506 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -74.97 -17.88 60.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 72.43 111.455 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.544 ' HE1' ' HZ ' ' A' ' 89' ' ' PHE . 15.4 p90 -122.82 -24.63 4.79 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.618 -0.433 . . . . 74.14 111.516 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -131.89 -156.03 8.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.067 -1.063 . . . . 74.23 113.426 -173.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -84.49 146.19 27.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.92 0.391 . . . . 72.24 110.855 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 160' ' ' GLU . 18.3 p80 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.277 -0.868 . . . . 65.04 110.14 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HA ' HG22 ' A' ' 121' ' ' VAL . 63.6 mtm . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 109.922 -0.399 . . . . 71.32 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -87.95 64.67 7.95 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.244 -1.021 . . . . 62.01 108.244 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -92.76 14.04 18.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.911 -1.04 . . . . 64.45 110.466 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.64 67.1 1.32 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.589 -1.005 . . . . 54.4 110.589 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 36' ' ' LYS . 98.4 t -56.9 127.25 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 121.218 0.532 . . . . 75.43 110.307 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 54.2 mtt -98.53 158.76 15.4 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.519 -0.764 . . . . 62.32 109.312 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.804 ' HB ' HG21 ' A' ' 11' ' ' VAL . 34.6 m -109.29 131.73 59.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 116.395 -0.366 . . . . 62.53 110.042 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' A' ' 38' ' ' ILE . 15.7 t70 -61.52 136.97 94.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.377 -0.601 . . . . 43.42 109.377 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -29.68 6.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.386 2.724 . . . . 72.53 114.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -82.13 -14.59 55.5 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.349 0.5 . . . . 71.11 112.349 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 ' HB ' ' A' ' 7' ' ' VAL . 33.1 m -59.45 -49.43 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.404 -0.518 . . . . 74.24 111.483 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.75 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 49.0 mt-30 -73.56 -26.54 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 72.3 110.377 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -65.35 -41.67 93.61 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.818 -0.628 . . . . 73.12 109.713 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -71.35 -27.97 63.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 72.13 111.424 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.75 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 24.2 m-85 -59.38 -57.99 10.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 73.33 109.83 171.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -61.27 -38.13 85.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 73.14 110.588 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 35.4 ttmt -45.4 -50.67 12.18 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.268 -0.878 . . . . 71.35 112.16 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.27 -34.8 18.79 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.974 -0.29 . . . . 74.32 111.183 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -69.38 -35.68 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.409 0.522 . . . . 51.4 112.409 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -11.17 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.503 -0.479 . . . . 73.34 110.868 -176.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.74 -89.38 0.42 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 109.917 -1.273 . . . . 72.43 109.917 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 99.2 mtt180 -108.47 -73.11 0.7 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.103 -1.073 . . . . 70.33 108.103 164.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 20.4 pttp 139.71 -32.54 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.721 2.008 . . . . 65.32 109.392 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' A' ' 88' ' ' LYS . 18.0 mp0 -84.14 0.73 47.43 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.72 0.772 . . . . 71.03 109.11 172.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -106.63 126.89 52.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.75 -1.114 . . . . 74.54 109.573 -176.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 1.046 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 14.9 ttt180 68.25 116.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.286 0.991 . . . . 72.23 110.399 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -104.36 168.32 9.17 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.615 -0.434 . . . . 62.52 110.652 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 39' ' ' VAL . 10.6 tp -133.7 137.1 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.355 0.597 . . . . 62.52 111.422 -171.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.71 135.59 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 51.5 110.175 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' HB2' ' HB3' ' A' ' 82' ' ' TYR . 92.5 m-85 -116.46 136.62 52.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 74.33 110.717 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . 3.5 tptm -127.01 160.72 30.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.239 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.486 HD11 ' OG ' ' A' ' 125' ' ' SER . 18.7 mm -99.12 122.48 50.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.319 0.58 . . . . 72.02 110.641 176.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 11.5 t70 -124.08 141.28 52.19 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.595 -1.261 . . . . 52.13 107.595 173.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 59.26 -97.44 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.806 0.336 . . . . 61.22 110.19 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -147.15 22.02 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.936 -0.575 . . . . 74.24 110.306 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -136.98 159.4 41.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.537 -0.302 . . . . 71.45 110.295 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 32' ' ' ILE . 9.5 p -92.49 132.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.379 0.609 . . . . 74.24 110.909 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.722 HG22 ' HB2' ' A' ' 8' ' ' ASP . 50.8 pt -126.83 171.41 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 73.34 110.516 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 28' ' ' ILE . 2.2 p -84.77 119.34 33.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.001 -0.545 . . . . 72.4 109.825 174.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 42.7 tt0 -86.86 -51.4 6.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.043 0.449 . . . . 73.34 110.498 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.89 151.55 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.98 -0.555 . . . . 71.04 111.28 -172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.57 74.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.75 -0.833 . . . . 73.43 108.75 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.16 122.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.463 -0.789 . . . . 63.25 111.305 -173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.046 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 1.7 t -114.82 148.43 38.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.056 175.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 3.5 pt20 -82.16 -18.32 43.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.252 -0.431 . . . . 72.5 111.124 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -44.74 79.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.588 -0.278 . . . . 70.41 110.631 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.931 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.6 pt20 -78.2 -23.26 47.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.262 0.553 . . . . 73.13 109.801 175.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.637 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 48.6 tp -65.4 -21.01 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.203 -0.908 . . . . 73.45 110.63 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.94 7.63 25.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.383 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' THR . 13.1 mm -90.33 171.98 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 62.21 108.943 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.7 p -71.71 -68.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.028 0.751 . . . . 73.54 113.028 -171.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.34 -75.79 0.03 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.274 -1.441 . . . . 61.34 114.545 -176.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 57' ' ' ASP . 20.6 m-20 -108.45 139.92 42.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.801 0.301 . . . . 61.22 110.636 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 59' ' ' SER . 24.9 t70 -57.43 -63.94 1.06 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.947 0.721 . . . . 75.1 112.947 -174.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.534 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -104.53 -19.1 14.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.969 -0.693 . . . . 73.34 111.301 -173.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.55 ' HB2' ' HD2' ' A' ' 88' ' ' LYS . 35.7 t70 -84.04 -26.72 28.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.244 0.545 . . . . 73.25 110.737 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HB3' ' H ' ' A' ' 53' ' ' ASP . 33.6 t70 -124.75 11.03 8.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.774 0.797 . . . . 73.13 109.884 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 p 49.06 68.57 0.69 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.935 -1.03 . . . . 72.31 112.718 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 50' ' ' ILE . 19.8 m -109.0 9.8 26.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.336 -0.847 . . . . 71.44 109.147 174.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -52.35 -25.62 10.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.457 -1.247 . . . . 72.45 112.528 -178.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.83 41.29 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.341 . . . . 65.11 111.316 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -49.94 70.09 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.0 110.618 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 85.7 m-85 -73.58 -23.44 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.281 0.562 . . . . 65.31 110.375 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 67' ' ' VAL . 20.4 t70 -63.56 -49.57 72.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.251 -0.886 . . . . 70.14 110.438 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.7 ptmt -78.57 -15.76 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 72.31 111.028 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 63' ' ' PHE . 4.3 m-30 -62.87 -29.46 70.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.182 -0.207 . . . . 74.43 111.502 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 64' ' ' ASP . 17.3 m -61.79 -24.36 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.087 0.47 . . . . 64.11 110.284 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.46 -57.94 2.94 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.956 -0.566 . . . . 65.12 110.307 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -47.57 -41.62 21.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.993 -1.003 . . . . 65.04 110.355 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -54.64 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.383 -0.826 . . . . 53.44 111.661 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 16.9 pttm -74.29 -21.59 59.67 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 119.12 -1.032 . . . . 75.13 111.826 -166.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.9 m -57.31 -52.05 66.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.005 0.431 . . . . 42.41 110.42 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 73' ' ' ARG . 7.6 ppt_? -86.14 -5.19 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.511 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.573 ' HB ' ' HA ' ' A' ' 71' ' ' LYS . 54.2 m -83.07 -35.69 25.49 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.535 -0.302 . . . . 54.12 111.09 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 69.54 -80.91 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.026 0.75 . . . . 74.14 113.026 170.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.52 10.65 37.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 74.35 110.844 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 85.3 mt 66.65 28.36 9.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.483 0.659 . . . . 63.21 110.308 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -83.77 12.03 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.305 -0.861 . . . . 71.34 110.24 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 74' ' ' THR . 32.5 t70 -77.01 140.95 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 74.41 110.909 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.09 134.08 10.27 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.833 -0.803 . . . . 71.24 108.833 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.585 ' HA ' ' CE1' ' A' ' 122' ' ' TYR . 7.0 ptt180 -164.54 166.02 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.79 -174.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.614 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t80 -111.28 127.89 55.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.355 -0.98 . . . . 74.55 108.355 173.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . . . -126.83 143.37 51.28 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.773 -0.371 . . . . 73.21 110.926 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.25 122.53 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.971 0.415 . . . . 74.52 110.46 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 105' ' ' ILE . 36.8 m-85 -136.3 121.48 19.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.799 -0.637 . . . . 64.4 109.708 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.743 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 t70 -86.39 99.1 11.38 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.192 -1.41 . . . . 65.33 107.192 168.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 145.15 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.069 -0.514 . . . . 73.32 109.864 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.912 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 7.2 pttt -124.14 153.75 41.06 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.403 0.62 . . . . 74.02 111.069 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.69 ' CD2' ' HG ' ' A' ' 155' ' ' LEU . 14.9 p90 -146.74 -175.82 4.95 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.513 -1.221 . . . . 65.34 108.739 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 p -128.41 130.5 47.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.087 0.47 . . . . 74.05 111.308 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.08 123.44 40.83 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.802 -0.814 . . . . 72.23 108.802 173.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 p -80.7 113.48 18.93 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.305 -0.407 . . . . 75.12 110.041 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.887 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 23.0 mtt180 -65.08 137.23 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.308 -0.627 . . . . 75.41 109.308 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.1 112.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 110.082 -0.34 . . . . 74.14 110.082 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.27 79.02 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.921 -0.581 . . . . 63.32 113.163 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 93' ' ' ARG . . . -146.66 -163.24 1.71 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.177 0.489 . . . . 74.31 111.064 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.59 -154.82 18.81 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.09 -0.576 . . . . 74.34 113.37 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -107.39 140.86 39.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.403 . . . . 53.3 111.23 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.9 m -117.42 117.12 28.61 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.527 -0.545 . . . . 75.24 109.527 173.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.513 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -76.21 148.45 37.68 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.45 -0.5 . . . . 73.23 109.681 177.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -147.24 128.64 14.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.331 0.586 . . . . 73.3 109.455 172.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.912 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 2.2 p-10 -123.87 143.81 50.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.764 -1.107 . . . . 73.45 110.596 -171.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -165.34 135.08 3.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.888 0.375 . . . . 74.43 110.744 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.9 tt -59.67 121.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.258 -0.883 . . . . 71.0 110.874 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 85' ' ' PHE . 32.1 pt -106.31 137.55 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 73.32 110.339 -178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.585 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 70.5 m-85 -101.51 109.54 21.38 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.52 -0.764 . . . . 73.0 109.935 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 31.9 tp -92.73 104.32 16.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.149 -0.932 . . . . 52.23 110.62 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.82 ' HB3' ' HG2' ' A' ' 142' ' ' GLN . 25.9 tp60 -100.82 100.64 11.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.556 -0.747 . . . . 71.3 109.387 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' HD3' ' A' ' 111' ' ' PRO . 61.2 mt -89.04 104.64 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 61.14 110.388 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 73.5 m -125.4 83.3 61.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 75.34 111.158 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.667 ' HA ' ' HB2' ' A' ' 144' ' ' SER . 4.8 Cg_endo -51.57 125.19 16.09 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.224 2.616 . . . . 71.52 111.693 174.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.73 -51.6 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.32 109.917 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.28 65.63 3.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.447 -0.661 . . . . 42.11 111.447 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -137.17 177.74 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.243 -0.281 . . . . 74.52 110.243 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -68.38 95.21 0.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.833 -0.621 . . . . 43.21 110.847 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.428 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 73.3 mt -56.28 -36.01 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.699 -0.682 . . . . 70.21 112.315 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -58.1 -55.41 35.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.605 -0.271 . . . . 71.03 111.69 -176.275 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 118' ' ' LYS . 19.2 ptmt -83.91 -23.04 31.37 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.787 -0.365 . . . . 74.21 110.859 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 114' ' ' ALA . 37.4 ttpt -67.35 -35.75 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 73.32 109.7 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.669 -0.696 . . . . 75.0 109.639 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 1' ' ' MET . 47.4 t -65.18 -41.92 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 71.14 110.075 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' A' ' 81' ' ' ARG . 22.6 m-85 -67.39 -33.91 76.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.21 111.167 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.09 74.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.228 0.537 . . . . 53.23 110.298 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.4 m -74.24 -16.61 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 75.4 110.676 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.486 ' OG ' HD11 ' A' ' 32' ' ' ILE . 18.5 m -68.8 -29.63 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.938 -0.393 . . . . 60.42 109.938 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB2' ' OE1' ' A' ' 108' ' ' GLN . . . -61.83 -42.85 99.55 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.979 -0.555 . . . . 64.32 110.058 174.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.59 94.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.658 -0.701 . . . . 70.14 110.535 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.18 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 62.44 111.038 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -35.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 61.24 111.157 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -70.11 -38.64 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 64.04 110.368 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.3 m -73.73 -38.27 64.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.883 0.373 . . . . 73.12 111.348 -176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.5 p -69.07 -52.23 30.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.312 -0.404 . . . . 32.13 111.699 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.48 -27.54 24.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.629 -0.428 . . . . 60.4 111.685 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.7 47.55 52.29 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 121.113 -0.565 . . . . 63.15 112.515 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -67.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.937 0.347 . . . . 41.2 111.937 -173.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.49 -30.43 8.3 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.85 -0.69 . . . . 72.24 112.606 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -122.75 104.32 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.447 0.641 . . . . 62.54 109.855 175.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.85 166.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.672 -0.695 . . . . 74.23 112.017 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.67 HD11 ' HE3' ' A' ' 161' ' ' LYS . 2.9 mm? -120.79 99.54 6.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.174 -0.676 . . . . 72.31 109.174 168.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -109.9 113.44 26.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.581 -0.736 . . . . 60.24 109.72 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 107' ' ' LEU . 8.5 p90 -113.74 123.97 51.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.168 0.508 . . . . 73.21 109.921 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.82 ' HG2' ' HB3' ' A' ' 108' ' ' GLN . 76.0 mt-30 -99.28 107.61 19.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 61.3 110.287 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 149' ' ' MET . 34.8 m -114.78 162.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 75.12 110.391 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 111' ' ' PRO . 6.1 p -134.77 6.52 3.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.1 -0.5 . . . . 73.33 110.757 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -132.71 154.94 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.836 -177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -31.73 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 73.5 111.831 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -76.32 -25.71 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.061 0.458 . . . . 64.43 109.967 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.35 -21.75 49.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 74.51 111.356 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 143' ' ' VAL . 27.1 ptt? -102.81 13.31 34.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.161 0.505 . . . . 64.55 110.391 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.2 m -75.31 156.37 35.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 74.01 110.811 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 9.3 p80 -55.82 -37.13 68.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.54 0.57 . . . . 73.22 112.54 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -60.76 -39.76 89.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 71.11 110.513 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.554 ' O ' ' HD3' ' A' ' 157' ' ' LYS . 72.7 mm-40 -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.828 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.95 -43.08 91.2 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.373 -0.603 . . . . 62.31 109.373 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.69 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 7.6 tt -64.35 -47.13 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.119 -0.946 . . . . 73.15 109.683 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.72 -53.64 56.13 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.988 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' ' 153' ' ' GLU . 10.0 mptt -54.8 -48.72 72.39 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.474 0.654 . . . . 73.23 111.462 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.553 ' HG ' ' HG ' ' A' ' 139' ' ' LEU . 5.3 tt -71.21 -36.57 71.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.254 -0.885 . . . . 72.31 110.722 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -79.79 -39.28 17.69 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.155 -0.545 . . . . 52.24 113.878 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -30.7 67.82 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.679 0.622 . . . . 72.32 112.679 -171.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.67 ' HE3' HD11 ' A' ' 139' ' ' LEU . 3.2 pptp? -72.7 -21.84 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 73.4 111.012 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.02 -42.4 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 73.12 111.655 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -102.14 -106.95 3.03 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.532 -0.842 . . . . 71.53 113.426 -173.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -98.25 127.62 44.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.946 0.403 . . . . 71.53 111.284 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.805 -0.634 . . . . 71.31 109.365 178.848 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.864 -0.421 . . . . 71.51 109.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -68.14 86.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 75.24 110.843 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -124.89 17.49 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.176 0.512 . . . . 74.53 110.626 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.02 50.51 1.75 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 63.51 111.65 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 36' ' ' LYS . 57.6 t -60.6 123.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.708 -0.479 . . . . 72.34 109.708 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 93.6 mmm -100.63 169.43 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.23 0.538 . . . . 73.31 111.516 -173.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG12 ' CG1' ' A' ' 37' ' ' VAL . 30.2 m -117.85 120.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.382 -0.826 . . . . 75.31 108.972 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 143.17 87.02 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 120.896 -0.322 . . . . 75.32 110.471 176.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.3 -31.81 18.21 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.7 2.933 . . . . 74.53 113.835 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.23 -30.93 68.62 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.715 0.265 . . . . 65.24 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.73 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 72.44 110.352 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 52.9 mt-30 -64.17 -31.83 73.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 74.42 111.353 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.9 m -62.43 -43.37 98.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.898 0.38 . . . . 72.24 110.707 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 m -66.16 -36.84 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 23.23 110.192 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CD2' HD11 ' A' ' 133' ' ' LEU . 31.3 m-85 -63.62 -31.07 72.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.034 -0.53 . . . . 72.44 111.367 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 32.0 mm-40 -68.53 -55.19 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 72.23 110.64 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.643 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 18.6 ptmt -68.68 -21.49 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.575 -0.284 . . . . 72.03 111.628 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 23' ' ' LYS . 11.8 tp -65.66 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.428 -0.582 . . . . 75.44 109.428 169.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -68.37 -30.67 69.65 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.91 0.707 . . . . 65.23 112.91 -171.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 11.4 pt-20 -67.05 -34.1 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.944 0.72 . . . . 73.34 112.944 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.71 -8.72 0.21 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 119.222 -1.466 . . . . 73.1 114.621 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 3.6 mmp_? -109.37 -57.35 2.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.031 0.916 . . . . 64.34 111.619 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HD11 ' A' ' 18' ' ' LEU . 1.6 mtpm? 69.12 -73.45 0.09 Allowed 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.032 0.833 . . . . 73.13 111.268 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 88' ' ' LYS . 18.9 mp0 -98.38 21.25 11.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.79 0.329 . . . . 74.12 110.427 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 96.1 m-85 -134.69 138.68 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.122 -0.231 . . . . 73.41 110.883 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 17.3 mtp180 67.23 117.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.236 0.96 . . . . 64.12 110.675 -174.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 42' ' ' ALA . 20.3 p90 -106.02 150.2 25.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.583 -178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.515 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.6 tp -108.74 123.19 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.368 0.604 . . . . 75.13 110.792 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.0 mm -115.02 133.88 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.292 -0.867 . . . . 72.41 109.175 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 37' ' ' VAL . 2.0 p90 -143.19 151.35 40.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.44 . . . . 54.12 111.641 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' O ' HD13 ' A' ' 38' ' ' ILE . 1.3 mptm? -127.71 162.18 27.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 52.24 110.709 -177.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.486 HD13 ' HB ' ' A' ' 37' ' ' VAL . 32.8 mm -85.99 127.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 71.34 110.427 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 32.9 t70 -145.37 147.6 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.408 -0.59 . . . . 74.02 109.408 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 64.4 -81.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.448 0.467 . . . . 74.3 110.908 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -160.17 9.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.691 -0.686 . . . . 75.1 109.785 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.594 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -141.28 -178.17 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.42 109.662 -178.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 30' ' ' PHE . 8.4 p -106.32 132.99 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.856 0.36 . . . . 71.32 110.925 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.594 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -119.24 164.79 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.326 -0.397 . . . . 55.41 110.429 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.6 134.54 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 62.02 111.39 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -102.76 -58.51 1.86 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 60.4 109.918 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.74 35.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 73.24 111.125 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -145.59 78.3 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.433 -0.803 . . . . 62.41 109.053 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.6 151.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.854 -0.612 . . . . 61.13 110.486 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -89.72 149.26 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.044 0.449 . . . . 63.22 110.999 179.345 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.795 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 12.9 pt20 -78.38 -18.8 54.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 72.45 110.969 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -69.15 -31.91 70.89 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.718 0.294 . . . . 73.11 110.906 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' HG2' HG23 ' A' ' 44' ' ' THR . 3.4 pt20 -91.31 -18.32 24.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.304 0.573 . . . . 75.15 109.964 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.795 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 15.9 tp -65.64 -24.04 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.409 -0.814 . . . . 74.54 111.036 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.51 -3.17 6.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.818 -0.706 . . . . 64.14 111.99 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG22 ' H ' ' A' ' 51' ' ' THR . 8.4 mm -98.94 169.37 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.899 -0.778 . . . . 44.21 108.899 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.509 ' H ' HG22 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.29 -55.58 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.434 0.531 . . . . 75.42 112.434 -177.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.34 -66.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.414 -1.374 . . . . 73.23 114.379 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -77.52 134.97 38.18 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.895 0.379 . . . . 72.03 111.719 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.591 ' OD1' ' HB3' ' A' ' 60' ' ' LYS . 17.6 t70 -56.14 -60.76 3.03 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.765 -0.652 . . . . 72.43 112.75 -174.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.754 ' HB2' ' HA ' ' A' ' 89' ' ' PHE . 25.0 t80 -101.86 -36.61 8.59 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.208 -0.597 . . . . 70.34 111.342 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.09 -27.42 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.224 0.535 . . . . 73.21 110.21 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -125.1 5.63 7.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 53.33 110.581 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m 53.04 33.03 13.97 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.912 -0.585 . . . . 75.31 111.682 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.531 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 70.5 m -68.22 -10.22 52.88 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.429 0.529 . . . . 43.53 112.429 -174.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.621 ' H ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -59.0 -22.68 61.03 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.44 -0.578 . . . . 75.33 109.44 172.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 151' ' ' HIS . . . -48.22 -22.05 0.6 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.687 -0.688 . . . . 65.4 111.877 173.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -51.71 -32.36 29.92 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.694 0.283 . . . . 70.31 111.181 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 67' ' ' VAL . 63.7 m-85 -67.96 -23.21 65.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.619 0.247 . . . . 73.32 111.392 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.49 -42.95 97.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.055 0.455 . . . . 64.41 110.499 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptmt -84.92 -16.32 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.556 . . . . 71.32 110.873 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.556 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 9.5 m-85 -80.39 -21.22 42.51 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.107 -0.237 . . . . 72.34 111.19 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 63' ' ' PHE . 89.7 t -58.73 -37.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.418 -0.586 . . . . 61.21 109.418 170.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -66.77 -36.72 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.384 -0.826 . . . . 73.34 110.37 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.88 -51.92 67.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.1 0.476 . . . . 72.12 110.079 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 66' ' ' PHE . 60.0 t -56.21 -59.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.188 -0.915 . . . . 63.42 111.307 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -24.83 67.52 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 74.32 112.318 -173.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.3 m -76.41 -41.68 46.9 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.003 -0.279 . . . . 64.42 110.999 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -86.55 -8.45 57.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.352 . . . . 74.5 111.721 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 p -98.13 -68.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.665 -0.414 . . . . 73.34 111.837 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.11 -69.88 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.952 0.782 . . . . 74.34 109.348 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -113.42 98.42 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.65 -1.241 . . . . 43.42 107.65 167.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 77' ' ' LEU . 1.9 pt? -49.28 100.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.781 0.8 . . . . 71.54 112.874 -169.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.8 m -120.22 -5.42 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.127 -0.942 . . . . 74.31 109.052 174.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.28 142.2 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.921 -1.036 . . . . 73.21 110.096 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.634 ' SG ' ' HE2' ' A' ' 118' ' ' LYS . 9.8 p -155.42 144.5 20.81 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.302 -0.629 . . . . 72.14 109.302 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -147.75 166.87 26.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.673 -0.239 . . . . 74.14 110.959 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.3 t80 -115.91 130.56 56.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 73.42 109.306 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.47 51.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.46 -0.336 . . . . 62.43 110.84 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 15' ' ' PHE . 92.5 t -133.52 134.52 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.529 -0.305 . . . . 72.14 110.714 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -139.35 140.85 37.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.03 110.097 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.638 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 7.4 t70 -100.94 99.62 10.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.133 -1.062 . . . . 72.15 108.133 169.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.57 132.68 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.696 -0.683 . . . . 63.52 111.835 -175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 102' ' ' ASP . 31.7 ttmt -104.86 108.75 20.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 71.4 109.802 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.754 ' HA ' ' HB2' ' A' ' 55' ' ' TYR . 7.3 p90 -119.74 -172.6 2.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.666 -0.494 . . . . 64.2 109.666 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 23.3 p -106.87 134.01 50.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 64.21 110.652 175.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.24 112.76 24.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.384 -0.598 . . . . 74.11 109.384 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.646 ' HA ' HG22 ' A' ' 98' ' ' THR . 14.8 m -70.45 108.1 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.697 -0.683 . . . . 74.04 110.822 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -99.08 120.82 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 75.5 110.359 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.07 121.27 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 74.44 110.984 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.87 -2.46 76.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.015 -0.612 . . . . 33.14 111.974 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.87 -159.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.595 0.236 . . . . 72.44 110.404 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -109.13 166.8 12.73 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.927 -0.654 . . . . 75.12 111.659 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.928 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.4 p -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.757 0.313 . . . . 72.14 110.883 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -100.13 135.6 41.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.358 -0.383 . . . . 71.12 110.224 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 53.6 mtmt -71.25 130.97 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.414 0.626 . . . . 64.11 111.234 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.5 ttt -143.6 131.82 21.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.972 -1.013 . . . . 74.34 109.668 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.602 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 4.3 p30 -104.51 146.43 28.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.014 -0.539 . . . . 73.21 110.962 -177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -167.19 155.11 9.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.809 0.814 . . . . 72.43 112.51 166.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.686 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 3.7 tt -85.88 138.04 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.372 -1.286 . . . . 74.04 112.305 -171.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.796 HG22 ' HB2' ' A' ' 139' ' ' LEU . 38.2 pt -125.44 153.09 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 71.32 110.712 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.464 ' HB2' ' HG2' ' A' ' 140' ' ' GLN . 60.2 m-85 -103.46 110.65 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.138 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.7 102.52 15.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 73.34 109.872 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.729 HE22 ' HB2' ' A' ' 126' ' ' ALA . 34.5 tt0 -113.62 116.02 28.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 70.02 110.961 173.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -99.23 103.05 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.472 0.654 . . . . 63.21 110.031 171.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.4 p -122.7 96.78 45.08 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.526 -0.761 . . . . 44.03 110.297 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.902 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 35.5 Cg_exo -60.66 142.21 97.21 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.925 2.416 . . . . 65.1 112.379 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.43 -56.99 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 50.44 110.12 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.0 62.17 4.23 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.906 -0.588 . . . . 64.11 111.889 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.902 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -119.81 175.69 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.888 0.375 . . . . 63.51 110.89 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 m -65.51 103.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 74.04 110.583 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.89 -34.2 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.675 0.609 . . . . 74.23 111.815 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.5 mttm -52.36 -60.63 2.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.625 -0.261 . . . . 62.12 111.462 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.634 ' HE2' ' SG ' ' A' ' 80' ' ' CYS . 20.2 ptmt -83.5 -27.06 29.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 54.24 110.876 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.49 -37.46 86.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.807 -0.633 . . . . 74.31 110.97 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -35.17 61.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 73.32 110.241 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 117' ' ' LYS . 64.7 t -64.11 -38.16 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.886 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.421 ' HA ' ' OG ' ' A' ' 125' ' ' SER . 14.2 m-85 -66.4 -36.56 83.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.668 0.271 . . . . 73.31 110.824 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.85 68.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 63.22 110.342 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -80.34 -43.13 21.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.749 -0.66 . . . . 72.3 110.948 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.452 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -70.64 -19.39 62.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 64.24 111.36 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.729 ' HB2' HE22 ' A' ' 108' ' ' GLN . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.171 0.51 . . . . 73.21 110.351 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.44 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 63.41 110.678 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.37 -46.66 59.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.125 -0.488 . . . . 75.41 111.179 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 4.5 tp -61.94 -35.54 68.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.336 -0.393 . . . . 53.12 110.826 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -79.04 -25.74 43.2 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 121.009 -0.277 . . . . 72.43 111.095 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.3 m -79.7 -30.07 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.54 . . . . 73.14 110.145 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.6 m -72.33 -30.72 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 64.25 111.006 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 15' ' ' PHE . 10.2 mp -100.64 -25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.071 0.397 . . . . 71.12 112.071 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.69 -106.01 0.87 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.856 -0.688 . . . . 65.32 111.505 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 137' ' ' LYS . 20.2 m 62.2 -73.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.264 0.626 . . . . 71.55 112.569 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.39 -30.15 9.66 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.652 -0.579 . . . . 43.4 111.652 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.663 ' H ' HG22 ' A' ' 135' ' ' THR . 15.2 tppt? -87.51 71.28 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.583 -0.525 . . . . 63.11 109.583 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.552 HG22 HG23 ' A' ' 104' ' ' ILE . 2.4 pp -145.49 153.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.762 -0.653 . . . . 45.12 110.687 -177.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.796 ' HB2' HG22 ' A' ' 105' ' ' ILE . 3.2 mm? -121.85 104.37 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.106 0.479 . . . . 64.12 110.413 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.464 ' HG2' ' HB2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -97.85 106.5 18.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.126 -0.694 . . . . 72.25 109.126 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 105' ' ' ILE . 33.9 p90 -102.41 128.72 48.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.246 -0.434 . . . . 63.24 110.054 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -99.56 103.18 14.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.245 0.545 . . . . 73.53 110.702 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.756 HG23 HG22 ' A' ' 109' ' ' ILE . 30.7 m -117.47 171.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.417 -0.81 . . . . 74.43 109.943 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 111' ' ' PRO . 4.8 p -132.68 -41.89 0.94 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.477 0.547 . . . . 74.13 112.477 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -93.84 159.02 15.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.988 0.423 . . . . 71.41 111.327 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' HB2' HG13 ' A' ' 67' ' ' VAL . 4.9 pt-20 -56.34 -34.34 66.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.595 -0.73 . . . . 75.4 111.637 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.1 m -68.95 -22.26 64.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.845 0.355 . . . . 64.31 110.905 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.602 ' CB ' ' HB ' ' A' ' 143' ' ' VAL . 52.7 mt-10 -87.37 -16.59 34.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.057 0.456 . . . . 73.4 111.139 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -105.51 13.06 30.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.468 0.652 . . . . 75.31 109.826 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.6 m -77.25 161.22 28.3 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.136 -0.938 . . . . 75.14 110.695 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 60' ' ' LYS . 3.3 p80 -63.44 -24.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.477 0.918 . . . . 72.32 113.477 -171.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -60.27 -60.11 4.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.468 0.544 . . . . 71.25 112.468 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 148' ' ' GLU . 10.5 pt-20 -77.85 -18.03 56.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.213 -0.595 . . . . 75.54 112.512 -170.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 mt -56.4 -38.52 71.63 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.464 -0.569 . . . . 73.02 109.464 172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.625 HD11 ' HE2' ' A' ' 55' ' ' TYR . 6.3 tt -68.15 -49.93 57.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.4 -0.818 . . . . 73.43 109.47 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.673 ' O ' ' HG3' ' A' ' 160' ' ' GLU . 48.5 t30 -58.41 -58.13 9.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 75.34 111.338 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -20.81 65.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.436 0.532 . . . . 64.33 112.436 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.41 HD13 ' CG2' ' A' ' 105' ' ' ILE . 27.3 tp -82.69 -29.65 29.75 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.603 -0.439 . . . . 55.32 110.086 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -97.33 -35.24 5.31 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.6 -0.81 . . . . 51.55 115.029 -171.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.717 ' OE2' ' HG3' ' A' ' 161' ' ' LYS . 0.0 OUTLIER -50.25 -62.39 1.61 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.505 1.298 . . . . 41.13 114.505 -165.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.717 ' HG3' ' OE2' ' A' ' 160' ' ' GLU . 0.2 OUTLIER -64.28 -25.0 67.86 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.223 0.823 . . . . 64.45 113.223 -172.366 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.516 ' N ' ' HD2' ' A' ' 161' ' ' LYS . 11.0 m-85 -93.62 -25.4 17.53 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.571 -0.452 . . . . 70.0 111.156 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -113.22 -112.12 3.08 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.813 -0.708 . . . . 63.21 112.249 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -81.99 107.25 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.832 0.348 . . . . 74.23 110.679 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.906 -1.045 . . . . 74.11 110.3 179.004 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.533 -0.173 . . . . 72.24 110.533 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 1' ' ' MET . 3.8 m -67.72 -30.07 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 62.11 109.785 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -93.6 10.88 30.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.101 -0.954 . . . . 53.21 110.706 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.17 158.28 16.72 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.046 -0.597 . . . . 73.32 112.03 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -119.42 147.05 23.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.65 -0.5 . . . . 54.22 109.65 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.1 mmm -99.76 164.56 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.959 -0.386 . . . . 73.31 109.959 178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 HG13 ' A' ' 37' ' ' VAL . 6.2 p -129.32 132.2 66.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.668 0.27 . . . . 64.53 110.946 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.28 127.22 89.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.877 -0.416 . . . . 73.24 109.877 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.78 -29.01 79.16 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.152 2.568 . . . . 74.23 113.872 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -74.34 -3.76 32.26 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.798 0.295 . . . . 75.23 111.798 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.634 HG13 ' HE1' ' A' ' 30' ' ' PHE . 19.3 t -59.01 -46.07 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.999 0.428 . . . . 61.02 109.944 171.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.2 -38.57 88.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 72.45 110.369 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 m -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 65.23 110.622 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 m -76.49 -30.26 57.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 64.4 111.392 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 133' ' ' LEU . 84.7 t80 -64.9 -44.4 89.74 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.878 0.371 . . . . 72.45 110.919 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 19' ' ' SER . 16.0 mm100 -61.46 -27.97 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.54 111.382 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 33.9 ttmt -56.52 -41.16 76.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.599 -0.728 . . . . 62.11 111.65 -174.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 27' ' ' TYR . 2.1 pt? -100.1 -28.16 13.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.295 -0.562 . . . . 75.12 110.598 175.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' GLN . 15.1 t -59.14 -45.07 91.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.203 -0.453 . . . . 52.35 112.141 -173.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.26 1.72 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.309 -0.556 . . . . 74.13 110.782 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.17 -135.03 7.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.74 -0.743 . . . . 62.41 112.111 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 62.5 mmt-85 -74.06 -6.68 49.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.519 0.192 . . . . 75.51 111.519 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.1 mppt? 69.61 -54.86 0.59 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.708 0.63 . . . . 73.11 110.801 -172.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 53' ' ' ASP . 43.2 mt-10 -80.13 14.91 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.497 0.665 . . . . 74.42 110.0 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' C ' ' HB ' ' A' ' 44' ' ' THR . 11.8 t80 -71.29 -179.4 2.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.344 -0.844 . . . . 63.25 108.772 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 29.6 ptt180 -57.91 121.09 9.7 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.255 -0.578 . . . . 75.12 111.106 -176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -98.9 179.21 4.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.725 -0.67 . . . . 71.31 111.379 -173.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' CD1' HG23 ' A' ' 39' ' ' VAL . 5.7 tp -107.21 130.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.222 -0.899 . . . . 71.53 112.195 -166.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.706 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 37.7 mm -112.02 130.12 66.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.448 -0.796 . . . . 74.22 109.573 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.776 ' HE2' HG23 ' A' ' 84' ' ' VAL . 92.2 m-85 -106.8 137.93 43.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 74.54 111.65 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -129.37 158.19 39.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 53.24 109.817 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 37' ' ' VAL . 33.3 mm -102.97 125.09 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.81 0.338 . . . . 70.51 110.704 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 20.5 t70 -122.87 127.0 48.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 73.24 109.621 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 66.06 -75.83 0.05 OUTLIER 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.851 0.72 . . . . 65.31 111.005 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -163.8 19.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 72.13 110.845 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -139.8 156.22 46.86 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.916 -0.314 . . . . 61.21 110.319 178.153 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' HD13 ' A' ' 32' ' ' ILE . 7.1 p -87.75 133.82 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.903 0.382 . . . . 63.12 110.749 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.63 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 42.1 pt -122.84 156.25 28.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.102 0.477 . . . . 54.04 111.884 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 28' ' ' ILE . 1.5 p -84.24 109.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.397 -0.82 . . . . 71.33 109.841 172.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.87 -38.54 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.198 -0.456 . . . . 74.31 111.221 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -134.57 127.99 32.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.129 0.49 . . . . 52.42 111.802 -174.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -123.43 95.53 4.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.194 -0.912 . . . . 31.45 108.911 171.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.75 135.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.042 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.798 ' HB ' ' HA ' ' A' ' 26' ' ' ARG . 6.3 t -98.98 160.23 14.41 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.146 -0.687 . . . . 53.34 109.146 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HB2' HG13 ' A' ' 50' ' ' ILE . 27.0 pt20 -67.43 -26.75 66.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.225 0.536 . . . . 63.41 109.975 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.98 -52.04 64.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.464 -0.789 . . . . 63.44 111.35 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' H ' HG23 ' A' ' 44' ' ' THR . 20.2 pt20 -75.09 -17.8 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 65.31 111.998 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.6 pp -91.5 -14.02 31.15 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.629 -0.428 . . . . 71.13 111.481 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.63 38.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.128 -1.034 . . . . 75.33 113.576 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' A' ' 45' ' ' GLN . 43.7 mm -122.1 159.58 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.164 -0.68 . . . . 60.14 109.164 177.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -65.99 -73.15 0.14 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.223 0.453 . . . . 75.44 112.223 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.02 -108.33 0.21 Allowed Glycine 0 CA--C 1.522 0.494 0 C-N-CA 119.403 -1.38 . . . . 73.25 114.474 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' OE2' ' A' ' 24' ' ' GLU . 3.2 m-20 -59.99 138.22 57.9 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.115 0.566 . . . . 71.31 112.413 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -49.35 -62.62 1.44 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 62.05 112.935 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.886 ' HD1' ' HE2' ' A' ' 60' ' ' LYS . 37.2 t80 -120.64 -23.4 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.857 -0.337 . . . . 75.02 110.56 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.93 -28.55 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.288 0.566 . . . . 65.02 110.086 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' SER . 17.7 t70 -118.72 -21.59 7.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.469 -0.787 . . . . 62.21 109.923 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 75.6 m 76.32 94.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.949 0.9 . . . . 42.13 111.123 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 50' ' ' ILE . 36.9 p -134.88 -19.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.524 -0.762 . . . . 42.04 112.144 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.886 ' HE2' ' HD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -51.79 -21.42 2.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.397 0.279 . . . . 70.23 111.533 -179.022 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HA ' ' NE2' ' A' ' 151' ' ' HIS . . . -42.79 -26.87 0.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.955 0.502 . . . . 73.45 112.15 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.45 -33.52 63.69 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.62 0.368 . . . . 72.42 111.685 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 67' ' ' VAL . 66.1 m-85 -64.44 -25.51 68.04 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.303 -0.248 . . . . 73.34 111.334 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.77 -37.04 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 73.52 111.182 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 18.4 ptmt -87.63 -30.56 20.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.479 -0.328 . . . . 64.22 110.919 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.18 -36.28 69.21 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.101 0.408 . . . . 70.52 112.101 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 31.2 m -60.08 -37.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.951 0.405 . . . . 74.02 110.58 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 1.9 mt-10 -79.0 -35.28 43.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 74.24 110.174 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 8.0 t70 -53.33 -52.75 58.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 72.22 109.634 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.86 -44.97 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.335 -0.848 . . . . 60.14 112.075 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.52 -20.74 60.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.523 -0.471 . . . . 72.0 112.022 -173.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.4 m -73.75 -44.3 56.61 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.961 -0.295 . . . . 55.23 111.102 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -84.16 -6.74 59.45 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.395 0.517 . . . . 74.31 112.395 -176.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.731 ' HB ' ' HA ' ' A' ' 78' ' ' THR . 6.4 p -88.41 -12.49 43.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.362 . . . . 74.25 110.403 174.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t70 64.84 -81.2 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.063 -0.971 . . . . 75.41 112.242 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -154.1 -34.13 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 72.04 110.229 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.66 -29.09 69.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.28 -0.418 . . . . 63.11 110.512 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.731 ' HA ' ' HB ' ' A' ' 74' ' ' THR . 19.5 m 61.27 94.62 0.04 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 124.036 0.835 . . . . 72.34 112.556 173.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -80.1 146.56 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 72.41 108.911 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.707 ' SG ' ' HG3' ' A' ' 119' ' ' LYS . 29.5 m -91.1 151.62 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.87 0.367 . . . . 75.22 110.667 -174.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.843 ' HB2' HD12 ' A' ' 109' ' ' ILE . 2.4 mmp_? -126.23 145.94 50.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.12 -0.326 . . . . 74.42 110.12 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.664 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -128.95 144.63 51.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.406 -0.961 . . . . 64.43 108.406 172.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.62 163.06 21.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.658 0.266 . . . . 71.52 110.787 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.776 HG23 ' HE2' ' A' ' 30' ' ' PHE . 39.8 t -129.56 123.83 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.777 -0.453 . . . . 71.42 109.777 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -130.12 146.48 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.995 -0.372 . . . . 62.44 109.995 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.776 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 12.4 t70 -101.1 103.98 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.294 -0.632 . . . . 74.33 109.294 170.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 105' ' ' ILE . 66.0 m-85 -92.32 113.76 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.807 0.337 . . . . 55.23 111.053 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -91.22 108.55 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 72.54 109.566 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.801 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 10.5 p90 -128.0 177.1 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.257 -0.428 . . . . 72.34 110.254 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 98' ' ' THR . 41.5 p -115.34 123.28 48.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.991 0.424 . . . . 71.04 110.077 177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 30.8 t -97.12 139.3 33.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.327 -0.397 . . . . 54.33 110.264 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 m -72.58 101.48 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 71.2 110.793 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -81.31 118.74 22.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.298 -0.63 . . . . 75.24 109.298 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 113.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 73.22 111.138 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.01 -7.11 62.43 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.851 -0.613 . . . . 74.42 112.04 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.78 -161.18 1.11 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.827 0.346 . . . . 71.32 110.438 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.78 -164.02 30.21 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.847 -0.692 . . . . 74.23 112.678 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 1.06 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 23.8 p -75.34 118.11 17.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.21 0.529 . . . . 52.42 111.065 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' THR . 20.0 m -85.99 123.77 31.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 55.05 110.199 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.58 ' HD3' HG22 ' A' ' 90' ' ' THR . 1.7 mppt? -72.93 110.19 7.05 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.167 0.508 . . . . 65.15 110.131 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.3 mtt -117.63 107.44 14.23 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.412 -0.813 . . . . 71.34 110.786 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -95.54 128.33 42.31 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.455 -0.793 . . . . 72.42 108.878 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 1.027 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -157.66 110.69 2.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.404 -0.518 . . . . 74.15 111.429 -176.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 18.8 tt -71.47 125.22 29.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 63.52 110.143 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 158' ' ' LEU . 20.7 pt -130.8 157.58 43.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.183 0.516 . . . . 71.23 111.931 -175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 138' ' ' ILE . 13.7 m-85 -95.97 128.87 43.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.068 -0.969 . . . . 73.5 111.369 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD21 HG13 ' A' ' 109' ' ' ILE . 6.5 tt -103.61 114.76 29.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.307 -0.861 . . . . 54.24 110.653 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.732 HE21 ' HB2' ' A' ' 110' ' ' CYS . 39.9 tp60 -110.55 108.08 17.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.549 . . . . 73.13 110.253 174.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.843 HD12 ' HB2' ' A' ' 81' ' ' ARG . 53.5 mt -87.38 105.65 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 64.43 109.669 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.732 ' HB2' HE21 ' A' ' 108' ' ' GLN . 22.3 t -125.49 90.04 51.4 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.937 -0.574 . . . . 73.14 109.919 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 110' ' ' CYS . 28.4 Cg_endo -65.42 175.29 4.3 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.06 2.507 . . . . 71.34 112.488 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.63 -55.84 2.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.639 -0.504 . . . . 62.25 109.639 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.08 61.07 4.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.306 -0.718 . . . . 74.32 111.306 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.81 178.85 6.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.543 -0.328 . . . . 75.55 110.354 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 26.4 m -68.82 88.61 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.019 -0.537 . . . . 74.24 110.363 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 84.8 mt -58.04 -32.35 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 71.12 112.333 -174.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.38 -50.47 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.629 0.233 . . . . 64.12 111.629 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HE2' ' HE2' ' A' ' 122' ' ' TYR . 18.9 ptmt -86.02 -21.35 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.214 -0.595 . . . . 60.24 110.275 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HG3' ' SG ' ' A' ' 80' ' ' CYS . 19.4 ttpp -63.85 -36.25 83.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.448 -0.575 . . . . 65.52 109.448 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -64.22 -37.27 86.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.2 -0.909 . . . . 72.31 109.688 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.74 -48.23 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 73.32 110.131 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.537 ' HE2' ' HE2' ' A' ' 118' ' ' LYS . 65.9 m-85 -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 74.13 111.243 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.07 80.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.07 0.462 . . . . 70.44 110.83 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -75.14 -33.36 61.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.905 -0.589 . . . . 75.42 110.241 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.4 m -68.14 -27.83 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 60.41 110.976 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -57.99 -34.45 70.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.264 -0.426 . . . . 51.41 110.748 177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.45 -43.64 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 74.34 110.611 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.46 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.329 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.56 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.058 -0.519 . . . . 63.1 111.005 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 126' ' ' ALA . 7.0 ptmt -73.35 -26.82 61.18 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.67 -0.412 . . . . 75.22 110.766 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 46.2 m -74.3 -30.79 62.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.064 0.459 . . . . 72.33 110.08 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.3 t -68.6 -47.54 66.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 73.22 111.098 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 11' ' ' VAL . 48.0 mt -91.8 -28.3 17.44 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.68 -0.408 . . . . 61.31 111.171 -176.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 -80.6 0.16 Allowed Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.936 -0.575 . . . . 64.41 112.944 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.476 HG21 HG23 ' A' ' 138' ' ' ILE . 9.0 m 58.67 -77.81 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.886 0.875 . . . . 72.44 112.305 -174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.54 -30.89 8.1 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.262 -0.494 . . . . 62.53 112.259 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.44 ' H ' HG22 ' A' ' 135' ' ' THR . 15.9 tppt? -102.39 70.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.234 -0.654 . . . . 74.23 109.234 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.635 HG21 ' CE1' ' A' ' 106' ' ' PHE . 7.6 pt -143.06 157.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.569 -0.741 . . . . 74.2 111.36 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.542 ' H ' HG22 ' A' ' 105' ' ' ILE . 3.3 mm? -118.73 98.41 6.21 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.15 -1.055 . . . . 74.22 108.15 172.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.43 105.95 18.16 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.36 -0.607 . . . . 70.34 109.36 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.49 ' HD1' HG13 ' A' ' 143' ' ' VAL . 51.8 p90 -104.13 148.34 26.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 74.44 111.125 -176.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -110.58 117.78 34.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 73.1 110.047 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' A' ' 141' ' ' PHE . 29.9 m -111.71 134.77 53.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.37 -0.377 . . . . 72.42 110.429 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.5 m -108.96 -3.26 17.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.89 0.376 . . . . 72.03 110.963 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -150.53 157.46 43.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.419 . . . . 71.12 110.532 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 6.4 pt-20 -64.28 -26.47 68.51 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 123.264 0.353 . . . . 52.42 111.179 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.2 t -67.51 -23.77 65.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.317 . . . . 70.15 110.553 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.625 ' HA ' ' HG3' ' A' ' 153' ' ' GLU . 42.8 mt-10 -83.96 -8.0 59.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 73.14 111.348 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.32 21.61 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.692 0.758 . . . . 74.33 109.815 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -81.62 170.73 15.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.014 -0.994 . . . . 54.02 110.964 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.476 ' NE2' ' HA ' ' A' ' 61' ' ' ALA . 62.4 m80 -41.97 -55.77 3.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.47 0.708 . . . . 74.34 112.283 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.63 -54.53 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 74.25 112.399 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.625 ' HG3' ' HA ' ' A' ' 148' ' ' GLU . 82.0 mm-40 -57.08 -43.48 82.18 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.047 0.758 . . . . 74.45 113.047 -168.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.52 -42.64 99.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.723 -0.391 . . . . 65.12 110.481 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.23 -36.29 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.993 -0.548 . . . . 74.1 110.013 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.2 -52.54 61.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.231 -0.441 . . . . 65.23 110.415 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -60.7 -52.31 65.66 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.613 0.721 . . . . 70.33 110.909 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 103' ' ' LYS . 41.2 tp -71.24 -10.26 59.46 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.661 -1.154 . . . . 64.31 111.389 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -93.27 -48.2 2.88 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.636 -0.793 . . . . 71.23 112.867 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.67 -15.68 58.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.543 0.942 . . . . 51.25 113.543 -171.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.867 ' HE2' ' HD2' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -65.41 -30.33 71.13 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.953 0.406 . . . . 43.22 110.952 -177.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.867 ' HD2' ' HE2' ' A' ' 161' ' ' LYS . 26.3 m-85 -124.7 12.12 8.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.565 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.98 174.67 33.02 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.876 -0.678 . . . . 72.4 111.885 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.6 112.69 24.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.006 0.431 . . . . 72.11 110.311 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.1 p80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.448 -0.787 . . . . 74.35 110.211 -177.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB2' ' H ' ' A' ' 2' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.901 -0.407 . . . . 70.12 109.901 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 1' ' ' MET . 13.3 m -72.87 -19.84 61.21 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.313 0.578 . . . . 75.01 110.893 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -83.83 9.05 12.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.725 -0.671 . . . . 41.43 109.535 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 174.24 38.15 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.546 -0.752 . . . . 70.41 111.43 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.755 HG11 ' HB3' ' A' ' 125' ' ' SER . 98.0 t -119.34 150.21 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.981 -0.748 . . . . 52.55 108.981 174.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.646 ' HB2' ' HB2' ' A' ' 36' ' ' LYS . 47.2 mtt -98.13 156.2 16.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.242 -0.651 . . . . 71.21 109.242 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 37' ' ' VAL . 6.3 p -138.61 123.84 22.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.846 0.355 . . . . 72.34 111.118 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 128.47 93.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.514 -0.55 . . . . 71.24 109.514 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.89 -15.99 29.76 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.11 2.54 . . . . 70.02 113.628 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.88 -21.41 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.949 0.404 . . . . 74.21 110.741 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 129' ' ' ILE . 99.7 t -60.19 -44.74 96.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.813 -0.44 . . . . 74.31 109.813 174.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.0 mt-30 -67.2 -37.32 83.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 72.5 110.309 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -59.79 -35.4 74.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.243 0.544 . . . . 73.34 110.127 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.683 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . 49.5 m -69.69 -30.45 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.661 -0.699 . . . . 54.14 110.624 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HE1' HG11 ' A' ' 84' ' ' VAL . 45.5 m-85 -73.99 -36.01 64.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.086 0.469 . . . . 72.42 110.293 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 15.5 mm100 -67.68 -41.65 83.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 62.42 111.428 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.683 ' CD ' ' HA ' ' A' ' 14' ' ' SER . 16.0 ptmt -67.48 -23.59 65.5 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.876 0.369 . . . . 71.41 111.271 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 5.8 tt -78.58 -39.81 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.364 -0.606 . . . . 55.34 109.364 173.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -65.23 -31.14 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.396 -0.82 . . . . 71.44 111.209 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 54.8 mt-10 -57.58 -41.74 81.74 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.36 0.6 . . . . 62.15 110.104 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.18 -115.96 0.47 Allowed Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.215 -0.902 . . . . 74.44 112.961 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 30.0 mmt180 -113.43 -4.52 13.59 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.183 0.438 . . . . 75.44 112.183 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 10.0 mtmp? 75.15 -55.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.936 0.772 . . . . 71.22 109.746 -164.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.584 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 4.0 mp0 -71.18 2.18 4.97 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.357 0.599 . . . . 72.12 110.483 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.6 t80 -98.69 124.74 43.71 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.638 -0.71 . . . . 74.44 109.605 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 47.8 mtt180 71.27 160.71 0.22 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.921 0.763 . . . . 65.33 111.979 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -138.49 144.91 40.23 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.297 -0.865 . . . . 72.01 109.176 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.696 HG23 ' HB ' ' A' ' 84' ' ' VAL . 3.7 tp -110.14 123.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-O 121.437 0.637 . . . . 71.04 111.195 -172.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 mm -115.26 132.95 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.086 -0.961 . . . . 73.02 108.949 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.516 ' HA ' ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -139.83 152.19 46.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.226 0.536 . . . . 75.51 111.706 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.867 ' HE3' ' HB3' ' A' ' 81' ' ' ARG . 1.9 tptm -122.62 164.68 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.266 -0.879 . . . . 75.54 110.439 -171.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG11 ' A' ' 121' ' ' VAL . 28.4 mm -94.9 121.86 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.968 0.413 . . . . 64.55 110.501 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 30.4 t70 -112.47 116.81 30.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.893 -0.594 . . . . 61.22 109.407 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 64.11 -82.61 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.672 0.608 . . . . 71.24 110.614 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.41 20.19 0.84 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.75 0.309 . . . . 74.41 110.572 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.707 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -137.33 159.58 41.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.06 0.457 . . . . 70.41 111.07 177.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HB ' HG23 ' A' ' 7' ' ' VAL . 30.0 t -87.37 129.0 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 72.21 111.134 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.707 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 48.5 pt -127.19 149.59 32.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 62.11 110.0 175.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 6.2 p -67.11 131.8 32.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.723 0.297 . . . . 61.24 110.409 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' H ' ' HA ' ' A' ' 30' ' ' PHE . 31.2 tt0 -99.48 -47.42 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.134 -0.321 . . . . 75.44 110.134 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.53 142.15 22.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.758 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.64 80.52 1.81 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.18 0.514 . . . . 73.43 109.921 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -129.51 161.5 38.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 44.2 110.55 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 6.4 t -105.03 158.19 16.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.893 0.377 . . . . 72.12 110.515 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.402 ' HB2' HG13 ' A' ' 50' ' ' ILE . 8.1 pt20 -79.29 -24.2 43.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.316 -0.402 . . . . 72.21 110.488 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.79 -17.53 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.601 -0.272 . . . . 72.31 111.262 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 44' ' ' THR . 11.1 pt20 -86.93 -33.4 19.7 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.979 -0.288 . . . . 72.11 111.218 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 HG12 ' A' ' 50' ' ' ILE . 4.4 pp -81.15 -29.2 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.877 -0.329 . . . . 74.12 111.095 -174.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.57 45.81 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.216 -0.992 . . . . 71.32 113.03 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' ' 59' ' ' SER . 48.4 mm -116.56 153.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.189 -0.671 . . . . 74.02 109.189 176.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -66.29 0.41 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.915 0.709 . . . . 62.01 112.915 -172.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.71 -86.31 0.08 OUTLIER Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.48 -0.867 . . . . 63.53 112.006 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 19.3 m-20 -73.52 121.9 21.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.705 -0.85 . . . . 64.12 108.705 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 59' ' ' SER . 18.0 t70 -48.83 -65.32 0.59 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.342 0.867 . . . . 64.5 113.342 -166.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.043 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 36.7 t80 -96.07 -28.82 14.43 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.472 -0.767 . . . . 73.41 111.168 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.68 -37.03 76.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.658 -0.247 . . . . 65.01 111.376 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 57.5 m-20 -85.06 17.93 2.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.544 0.211 . . . . 74.34 110.637 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.2 p 52.78 36.39 21.19 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.679 0.792 . . . . 71.31 111.117 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 3.9 m -90.91 12.22 20.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 62.24 110.254 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.28 10.43 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.853 -0.612 . . . . 53.32 111.395 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.61 -26.93 5.94 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.187 -0.461 . . . . 71.5 111.176 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -59.45 -52.68 64.57 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.52 -0.309 . . . . 65.22 110.3 175.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.434 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 36.0 m-85 -69.74 -28.27 65.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 71.25 110.408 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.2 t70 -68.17 -35.81 78.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.576 -0.738 . . . . 52.53 110.582 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 20.5 ptmt -86.73 -20.76 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.552 -0.294 . . . . 52.04 111.098 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -63.71 -28.91 70.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.559 0.219 . . . . 74.33 111.093 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.966 ' HB ' ' HB2' ' A' ' 146' ' ' GLU . 8.8 m -63.22 -27.46 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 70.31 110.258 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 17.4 mt-10 -81.51 -38.11 26.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.781 -0.451 . . . . 54.32 109.781 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.24 -43.44 64.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.033 -0.53 . . . . 62.21 110.231 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 149' ' ' MET . 96.3 t -65.73 -61.55 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.399 -0.819 . . . . 65.2 111.234 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 57.0 pttt -66.05 -20.82 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.524 0.565 . . . . 73.31 112.524 -172.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.9 t -65.45 -56.89 9.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.159 -0.216 . . . . 41.0 111.067 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -86.01 -17.47 35.17 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.457 0.539 . . . . 75.24 112.457 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.849 HG22 ' HB3' ' A' ' 79' ' ' ASP . 12.1 p -70.62 -25.27 62.95 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 74.53 111.914 -176.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 74' ' ' THR . 15.5 t70 68.88 -64.96 0.3 Allowed 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.775 0.672 . . . . 73.24 110.281 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -145.47 61.74 1.28 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.347 -0.612 . . . . 73.55 109.347 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt 53.08 33.94 16.1 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.528 -0.76 . . . . 74.1 111.953 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -82.63 -31.05 28.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.85 0.357 . . . . 64.41 110.837 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' HG22 ' A' ' 74' ' ' THR . 7.6 t70 -77.85 141.8 38.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.479 . . . . 61.34 110.305 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.75 136.19 19.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.784 -0.821 . . . . 65.33 108.784 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.867 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 4.7 ptt180 -156.32 177.13 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.186 0.517 . . . . 73.15 112.119 -171.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -110.42 128.49 55.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.062 -0.972 . . . . 71.24 110.157 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' CE1' ' A' ' 85' ' ' PHE . . . -128.7 129.84 46.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.992 -0.549 . . . . 73.42 109.628 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.71 HG11 ' HE1' ' A' ' 15' ' ' PHE . 59.1 t -122.7 122.11 65.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 120.873 0.368 . . . . 74.41 110.183 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 48.0 m-85 -128.62 134.37 48.55 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.653 -0.703 . . . . 73.23 109.388 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.4 t70 -94.23 98.3 10.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.683 -1.599 . . . . 74.33 106.683 164.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.702 ' CE1' ' HG ' ' A' ' 158' ' ' LEU . 4.6 p90 -98.81 128.01 44.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.444 0.64 . . . . 71.51 110.333 -171.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE3' ' HG2' ' A' ' 24' ' ' GLU . 33.4 ttmt -98.73 108.41 21.1 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.676 -0.693 . . . . 52.14 109.926 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 1.043 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 5.4 p90 -110.86 -175.41 2.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.27 -0.877 . . . . 65.44 109.506 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.5 p -112.74 121.86 45.96 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.2 0.524 . . . . 71.33 109.727 173.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.9 t -96.33 134.19 39.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.814 -0.63 . . . . 71.01 109.605 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 m -65.88 114.6 5.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.221 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.602 ' CG ' ' HB3' ' A' ' 96' ' ' ALA . 28.6 tpt180 -91.35 109.25 20.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.648 -0.706 . . . . 73.14 109.316 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.12 112.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 74.22 111.088 -176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.94 7.61 62.47 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.797 -0.638 . . . . 45.24 112.457 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . . . -148.86 -159.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.564 0.221 . . . . 71.31 110.714 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -104.68 175.52 22.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.88 -0.676 . . . . 74.13 112.615 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 p -53.1 129.57 31.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 70.42 111.838 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -115.37 123.43 48.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.211 -0.449 . . . . 63.3 110.247 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -71.82 129.65 39.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 72.4 110.4 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 46.6 tpp -141.1 138.97 33.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.622 -0.717 . . . . 70.23 110.529 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 88' ' ' LYS . 3.7 p30 -109.81 149.9 29.15 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.64 -0.709 . . . . 72.44 109.822 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 1.043 ' HE3' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -165.81 134.91 3.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.509 . . . . 74.15 111.148 172.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 11.4 tt -75.98 124.2 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 63.13 110.88 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.517 ' HB ' ' HE1' ' A' ' 141' ' ' PHE . 35.7 pt -117.26 137.91 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.231 0.539 . . . . 73.51 111.421 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.521 ' HZ ' HD22 ' A' ' 133' ' ' LEU . 33.4 m-85 -94.12 103.49 15.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.505 -0.771 . . . . 75.43 110.533 174.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' ' CE2' ' A' ' 141' ' ' PHE . 4.4 tt -90.9 101.86 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.638 -0.71 . . . . 63.03 109.272 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 142' ' ' GLN . 14.0 tp60 -89.02 102.8 15.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.953 -0.567 . . . . 75.04 110.072 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.755 HD12 ' HG3' ' A' ' 81' ' ' ARG . 59.8 mt -76.83 95.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.612 -0.885 . . . . 75.21 108.612 172.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.74 98.16 13.55 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.077 -0.51 . . . . 60.52 110.211 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.845 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 19.7 Cg_exo -66.21 116.32 3.96 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.451 2.1 . . . . 74.25 110.154 171.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.595 ' HA ' ' NZ ' ' A' ' 119' ' ' LYS . 22.7 t70 -64.73 -41.96 95.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.475 -0.33 . . . . 71.41 111.109 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.02 44.39 2.98 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.871 -0.68 . . . . 71.33 112.202 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.845 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -110.93 177.44 4.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.59 0.233 . . . . 62.13 111.125 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . 40.4 m -46.99 105.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.209 0.943 . . . . 71.54 111.789 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.5 mt -58.73 -38.59 72.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.651 0.611 . . . . 73.43 112.651 -170.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.795 0.331 . . . . 71.24 111.426 -174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -84.76 -23.02 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.894 -0.322 . . . . 73.51 111.144 -178.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 112' ' ' ASP . 1.5 tmtp? -71.68 -32.29 67.7 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.533 -0.543 . . . . 72.24 109.533 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 23.0 ttt -63.63 -36.85 85.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 55.32 110.182 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.408 HG11 HG21 ' A' ' 32' ' ' ILE . 44.5 t -63.9 -48.7 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 72.23 110.159 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -63.26 -32.32 73.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.265 -0.425 . . . . 75.55 111.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.88 67.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.822 0.344 . . . . 72.05 110.67 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -83.18 -39.87 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.761 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.755 ' HB3' HG11 ' A' ' 5' ' ' VAL . 4.4 p -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.492 -0.322 . . . . 63.13 111.51 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.52 81.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.98 0.419 . . . . 74.31 110.422 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.51 -24.01 39.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 62.24 110.806 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.46 51.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.471 -0.331 . . . . 72.14 111.293 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.657 HD11 HG11 ' A' ' 11' ' ' VAL . 5.6 tp -63.4 -37.26 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.499 -0.319 . . . . 75.55 111.457 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.96 -35.53 69.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 74.21 110.493 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.0 m -72.63 -26.99 61.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.681 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.7 m -65.86 -52.33 51.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.223 -0.444 . . . . 64.32 110.112 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.521 HD22 ' HZ ' ' A' ' 106' ' ' PHE . 10.7 mp -72.87 -26.3 61.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.295 -0.411 . . . . 74.14 111.677 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.19 46.0 63.21 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.228 -0.511 . . . . 71.22 112.386 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.4 m -85.62 -48.85 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.791 0.329 . . . . 72.3 111.224 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.6 -30.56 4.5 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.006 -0.616 . . . . 44.34 114.058 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 59.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.688 0.756 . . . . 74.42 111.517 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.746 HD13 ' H ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -114.21 146.59 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.316 -0.856 . . . . 61.12 110.368 176.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.27 99.09 10.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.432 -0.951 . . . . 74.23 108.432 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.409 ' HG3' ' HB3' ' A' ' 106' ' ' PHE . 57.2 tt0 -108.25 123.96 49.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.313 -0.858 . . . . 63.2 109.65 -176.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.691 ' CE2' ' HG ' ' A' ' 107' ' ' LEU . 32.2 p90 -130.93 139.2 50.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.783 0.325 . . . . 73.33 111.138 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.851 ' HG2' ' HG2' ' A' ' 108' ' ' GLN . 96.6 mt-30 -102.3 113.05 26.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.524 . . . . 74.25 109.691 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 148' ' ' GLU . 31.5 m -120.52 149.88 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.263 -0.426 . . . . 75.32 111.083 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 50.2 m -110.23 -53.34 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.368 -0.378 . . . . 63.25 111.447 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -85.41 158.67 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 74.54 111.609 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.966 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 13.9 pt-20 -60.11 -33.59 72.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 51.33 111.364 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 m -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.197 0.523 . . . . 73.41 110.653 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 143' ' ' VAL . 9.0 mm-40 -71.15 -29.29 65.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 75.44 110.853 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.486 ' HB3' HG21 ' A' ' 143' ' ' VAL . 23.2 ptp -102.35 11.97 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.018 -0.537 . . . . 73.42 110.862 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 60.3 m -75.38 152.66 38.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.804 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 63' ' ' PHE . 28.9 p80 -57.24 -29.17 63.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.873 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -56.37 -50.51 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.882 0.372 . . . . 74.33 110.874 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 64.7 mm-40 -75.31 -30.56 60.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.36 -0.382 . . . . 73.43 111.211 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 30.3 mt -57.09 -43.77 82.5 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.015 -0.274 . . . . 72.32 110.304 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 89' ' ' PHE . 9.1 tt -68.89 -44.39 73.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.238 -0.437 . . . . 61.25 109.832 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.526 HD22 ' HD3' ' A' ' 157' ' ' LYS . 8.8 t30 -60.01 -51.25 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.771 -0.65 . . . . 61.33 111.716 -176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 69.1 mmtt -64.23 -43.75 93.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.371 0.605 . . . . 62.32 109.77 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.702 ' HG ' ' CE1' ' A' ' 87' ' ' PHE . 3.6 mm? -66.71 -10.82 50.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.078 -0.965 . . . . 54.32 112.036 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.81 -55.01 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.707 -0.759 . . . . 54.22 112.124 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.554 ' HB2' ' HA ' ' A' ' 165' ' ' HIS . 8.2 pt-20 -64.85 -22.13 66.93 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.64 0.607 . . . . 71.33 112.64 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -56.48 -41.35 76.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.696 0.284 . . . . 73.32 110.758 -175.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.708 ' H ' ' HD3' ' A' ' 161' ' ' LYS . 39.8 m-85 -124.2 14.13 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 74.44 111.784 174.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -111.02 -132.8 6.17 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.614 -0.994 . . . . 64.1 110.614 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.63 105.45 12.79 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.973 -0.751 . . . . 72.42 108.973 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 160' ' ' GLU . 57.4 t-80 . . . . . 0 N--CA 1.437 -1.096 0 CA-C-O 118.211 -0.9 . . . . 54.44 109.807 -172.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.185 -0.672 . . . . 72.03 109.185 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -78.87 73.16 5.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.19 0.519 . . . . 71.33 111.975 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -99.66 -12.57 19.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.872 -0.604 . . . . 70.44 110.175 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.38 69.59 0.95 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.636 -0.793 . . . . 52.34 111.691 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.55 123.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.886 0.374 . . . . 75.24 110.091 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.579 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 22.8 ptm -99.45 171.29 8.04 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.459 -0.571 . . . . 74.34 109.459 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.641 HG23 ' HB ' ' A' ' 37' ' ' VAL . 7.4 p -130.05 131.4 66.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 120.974 -0.29 . . . . 71.31 110.798 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -56.24 124.9 62.91 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.612 -0.514 . . . . 72.32 109.612 171.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' ASP . 67.3 Cg_exo -52.77 -26.41 30.34 Favored 'Trans proline' 0 N--CA 1.472 0.235 0 C-N-CA 123.526 2.817 . . . . 71.45 114.32 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' HB3' HG11 ' A' ' 39' ' ' VAL . 24.7 t70 -66.3 -24.44 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.658 0.266 . . . . 73.25 111.345 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' CE2' ' A' ' 15' ' ' PHE . 59.8 t -60.27 -48.75 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.641 -0.503 . . . . 74.22 109.641 175.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' HA ' ' HD2' ' A' ' 15' ' ' PHE . 51.1 mt-30 -63.22 -39.48 94.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 73.2 110.765 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.9 m -60.19 -40.82 91.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 74.41 110.451 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.796 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 54.0 m -64.73 -39.72 94.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.941 -0.572 . . . . 74.21 110.64 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 35.7 m-85 -58.89 -41.07 86.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.06 0.457 . . . . 73.33 110.55 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.97 -54.51 29.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.267 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.796 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 52.1 pttt -67.32 -17.84 64.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.704 0.261 . . . . 63.01 111.704 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 27' ' ' TYR . 9.5 tt -76.19 -61.26 2.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.024 0.44 . . . . 64.23 110.06 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.6 -34.22 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 72.52 110.918 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -85.55 -5.67 59.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 72.41 110.028 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.1 -102.18 0.74 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.049 -0.82 . . . . 51.33 111.049 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . 23.6 mmt180 -112.25 -71.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.623 -0.431 . . . . 75.44 110.072 174.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 8.7 mmtp -177.49 -77.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.456 1.102 . . . . 73.24 108.92 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 4.9 mp0 -80.16 16.57 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.015 0.436 . . . . 75.35 110.465 174.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.714 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -93.7 123.17 36.85 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.337 -0.616 . . . . 71.0 109.337 -178.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.758 ' H ' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 41.92 114.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.974 1.422 . . . . 70.52 112.505 -167.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.787 ' HA ' HD12 ' A' ' 18' ' ' LEU . 10.2 p90 -107.85 166.46 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.431 -0.804 . . . . 53.32 110.717 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.72 HG13 ' HD1' ' A' ' 30' ' ' PHE . 4.9 tp -109.91 120.0 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.479 0.657 . . . . 63.21 111.626 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 41' ' ' ALA . 38.3 mm -115.39 116.54 52.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.342 -0.844 . . . . 74.11 109.265 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.72 ' HD1' HG13 ' A' ' 28' ' ' ILE . 11.5 p90 -134.93 157.99 45.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 73.43 111.698 -174.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.014 ' HG2' HH11 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -136.97 173.48 11.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 74.44 109.991 -176.572 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 37' ' ' VAL . 35.5 mm -105.17 118.23 52.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.014 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -134.3 151.56 51.32 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.359 -0.978 . . . . 52.15 108.359 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.23 -99.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.524 -0.547 . . . . 74.53 109.524 -171.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -146.13 20.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 60.1 110.404 176.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.597 ' HE3' ' CG2' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -142.78 171.82 13.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 71.15 111.617 -177.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.641 ' HB ' HG23 ' A' ' 7' ' ' VAL . 40.6 t -81.98 129.08 38.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.5 -0.773 . . . . 75.42 110.384 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.597 ' CG2' ' HE3' ' A' ' 36' ' ' LYS . 44.2 pt -118.06 139.83 43.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 74.14 110.739 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 10' ' ' ASP . 3.3 p -86.51 129.04 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 73.33 109.889 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.38 -45.54 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.925 0.393 . . . . 75.33 110.839 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.83 135.81 40.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.937 0.399 . . . . 71.31 111.406 -176.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 27' ' ' TYR . . . -143.92 74.43 1.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.301 -0.863 . . . . 73.21 109.497 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 29.1 m -132.48 166.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.76 . . . . 73.41 110.247 -176.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.758 ' HB ' ' H ' ' A' ' 26' ' ' ARG . 12.1 t -98.63 150.25 21.95 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.749 0.309 . . . . 73.13 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -71.1 -20.45 62.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.047 0.451 . . . . 50.21 110.078 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 6.4 t70 -65.85 -27.95 68.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.721 . . . . 71.52 111.518 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 44' ' ' THR . 20.0 pt20 -89.86 -12.73 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.695 0.258 . . . . 75.21 111.695 -174.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.8 -5.96 23.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.65 -0.42 . . . . 72.11 111.553 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.66 -20.82 2.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.063 -1.065 . . . . 42.3 113.508 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 14.7 mm -82.16 164.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.428 -0.582 . . . . 63.22 109.428 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.433 ' H ' HG22 ' A' ' 50' ' ' ILE . 21.3 p -80.22 -50.58 10.05 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.305 0.854 . . . . 72.54 113.305 -171.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.96 -83.93 0.11 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 119.626 -1.273 . . . . 11.24 114.067 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 56' ' ' ASP . 5.1 m-20 -70.79 132.25 45.04 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.703 0.26 . . . . 72.23 111.703 -172.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -57.22 -65.91 0.54 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.932 0.715 . . . . 74.32 112.932 -170.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.718 ' HB3' ' HA ' ' A' ' 89' ' ' PHE . 57.7 t80 -109.49 -18.86 13.43 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.764 -0.585 . . . . 74.55 110.336 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 28.4 t70 -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.906 -0.588 . . . . 61.51 110.243 177.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -113.68 3.81 15.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.275 0.559 . . . . 71.23 110.05 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.0 m 66.0 38.18 5.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.424 -0.807 . . . . 72.02 112.234 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.473 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 49.7 m -79.46 -12.08 59.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.409 176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 151' ' ' HIS . 12.5 pttm -55.4 -23.45 24.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.214 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.6 -29.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.007 -0.542 . . . . 42.32 111.121 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 50' ' ' ILE . . . -57.91 -36.72 72.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.04 -0.527 . . . . 74.25 111.663 176.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' HB3' ' A' ' 151' ' ' HIS . 81.2 m-85 -65.89 -22.85 66.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.822 0.344 . . . . 54.21 111.407 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.643 ' HB2' ' CD2' ' A' ' 151' ' ' HIS . 8.6 t70 -69.95 -46.78 64.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.076 -0.511 . . . . 73.04 111.289 -174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.64 61.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.231 -0.44 . . . . 72.04 111.661 -174.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' O ' HG23 ' A' ' 70' ' ' VAL . 28.6 m-85 -84.65 -28.53 26.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.217 0.451 . . . . 61.23 112.217 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 64' ' ' ASP . 21.4 m -61.04 -23.9 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.957 0.408 . . . . 62.0 111.397 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 77.4 mm-40 -74.78 -57.57 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.392 . . . . 74.3 110.431 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.43 -32.86 63.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 64.22 110.404 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 66' ' ' PHE . 53.7 t -61.39 -53.46 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.608 -0.724 . . . . 62.54 110.985 174.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.701 ' HD3' ' HG2' ' A' ' 146' ' ' GLU . 18.6 pttm -79.76 -21.03 44.92 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.006 -1.078 . . . . 71.32 111.583 -171.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.0 m -75.55 -30.52 59.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.623 0.249 . . . . 75.32 111.214 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -85.91 -24.54 26.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.913 -0.315 . . . . 73.21 111.066 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 79' ' ' ASP . 53.9 p -94.78 2.52 55.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.646 -0.252 . . . . 61.53 111.335 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 74' ' ' THR . 22.2 t70 70.4 -64.99 0.34 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.856 0.723 . . . . 74.22 110.325 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -141.89 -77.84 0.26 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 72.42 109.633 175.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 111' ' ' PRO . 2.3 pt? -150.13 34.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 71.02 110.634 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -75.48 -24.92 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 54.15 111.274 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.529 ' HB3' HG22 ' A' ' 74' ' ' THR . 31.6 t70 -108.89 144.58 36.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.045 -172.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.2 p -139.03 135.76 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.645 . . . . 54.4 110.034 -177.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 1.014 HH11 ' HG2' ' A' ' 31' ' ' LYS . 26.0 mtt180 -145.47 166.7 24.9 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.71 0.29 . . . . 73.53 111.511 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.64 ' HE2' ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -117.5 128.18 54.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.095 -0.502 . . . . 63.12 109.679 -177.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -137.48 150.75 47.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.255 -0.276 . . . . 64.05 110.255 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -134.62 130.73 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.931 0.396 . . . . 64.51 111.122 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -137.79 138.45 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.744 -0.662 . . . . 73.42 109.684 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.655 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 9.5 t70 -100.56 99.4 9.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.96 -1.126 . . . . 43.32 107.96 169.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -102.56 143.31 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.907 -0.405 . . . . 71.34 109.907 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' ASP . 9.1 ptpp? -112.88 148.22 35.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.229 0.538 . . . . 63.3 109.967 175.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.718 ' HA ' ' HB3' ' A' ' 55' ' ' TYR . 1.5 p90 -143.81 172.95 12.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.421 -0.809 . . . . 63.01 109.91 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 99' ' ' SER . 19.6 p -134.16 122.72 23.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.085 -0.507 . . . . 75.04 110.831 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.1 m -99.08 131.26 45.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.17 -0.468 . . . . 64.35 110.007 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 p -74.96 109.17 8.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.312 0.577 . . . . 52.52 109.77 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.779 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 79.9 ttt180 -73.26 142.15 47.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.462 -0.79 . . . . 71.14 110.136 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.51 113.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 71.33 110.746 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.72 10.45 85.14 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.68 -0.691 . . . . 33.0 112.368 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 93' ' ' ARG . . . -138.53 -166.51 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 55.15 111.041 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.6 -144.31 13.59 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.719 -0.753 . . . . 51.24 112.322 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -80.38 140.71 35.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.401 0.62 . . . . 52.32 112.068 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.1 m -118.55 114.95 23.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.495 -0.775 . . . . 65.2 109.16 171.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -82.26 126.4 32.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.021 0.438 . . . . 73.3 110.529 -178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -134.09 140.05 46.36 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.842 -0.799 . . . . 70.43 108.842 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 1.5 p30 -130.63 144.59 51.53 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.121 -0.325 . . . . 74.11 110.121 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 103' ' ' LYS . 8.9 tppt? -160.26 133.6 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.071 0.462 . . . . 65.23 111.161 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.655 ' HA ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 tt -72.21 120.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.444 -0.798 . . . . 63.44 110.576 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 141' ' ' PHE . 32.9 pt -108.34 141.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.016 0.436 . . . . 74.33 110.619 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 138' ' ' ILE . 29.4 m-85 -95.73 107.08 19.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.936 -0.575 . . . . 61.52 110.181 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 141' ' ' PHE . 27.7 tp -95.32 102.49 14.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.587 -0.733 . . . . 55.2 110.269 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.467 ' OE1' ' HB2' ' A' ' 126' ' ' ALA . 29.1 tt0 -111.61 105.53 14.1 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.613 -0.514 . . . . 41.32 109.613 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.2 mt -89.48 103.57 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.84 -0.8 . . . . 74.42 108.84 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 76.7 m -146.04 99.14 4.32 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 65.1 111.536 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.847 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 32.2 Cg_exo -63.13 147.96 93.7 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.907 2.405 . . . . 71.15 111.217 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 119' ' ' LYS . 38.7 t70 -87.01 -32.76 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.424 -0.584 . . . . 73.21 109.424 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.75 34.14 2.55 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.154 -0.778 . . . . 62.45 111.154 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.847 ' HB2' ' HB2' ' A' ' 111' ' ' PRO . . . -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.567 . . . . 73.45 110.31 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -57.29 102.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 54.2 110.707 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 75.6 mt -54.18 -39.56 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.235 0.828 . . . . 72.23 113.235 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -62.59 -54.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.745 -0.382 . . . . 75.15 111.355 -175.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 118' ' ' LYS . 19.7 ptmt -75.06 -28.47 60.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 70.14 110.294 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 112' ' ' ASP . 34.2 ttpt -59.95 -43.67 94.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.238 0.542 . . . . 74.52 110.028 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.442 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 21.5 mmt -64.37 -32.03 73.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.733 . . . . 64.15 111.339 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 117' ' ' LYS . 26.1 t -73.35 -41.95 57.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.589 -0.278 . . . . 71.11 110.82 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 81' ' ' ARG . 30.7 m-85 -63.26 -35.69 81.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 70.43 111.094 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.14 -28.02 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 50.23 110.835 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.1 m -84.56 -32.88 23.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 72.54 110.832 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 p -68.05 -20.59 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.674 0.274 . . . . 54.01 111.205 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 82' ' ' TYR . . . -56.74 -43.89 81.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.0 0.429 . . . . 65.14 110.467 173.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.23 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 71.42 110.731 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.72 -47.52 75.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 73.33 110.999 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.84 -31.06 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.171 0.51 . . . . 72.52 110.245 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -71.63 -35.52 70.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 72.25 110.472 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.5 m -79.0 -36.37 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.317 -0.401 . . . . 73.34 111.246 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 p -70.82 -29.47 65.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.396 -0.365 . . . . 64.12 111.754 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 15' ' ' PHE . 9.3 mp -100.95 -25.68 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 62.12 111.018 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.6 -67.95 3.56 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.366 -0.694 . . . . 51.44 111.366 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.8 p 50.7 -97.04 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.94 0.896 . . . . 51.0 112.83 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.12 88.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.104 -0.57 . . . . 73.11 112.692 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.933 ' HE2' ' HA ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -143.6 38.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.579 0.704 . . . . 70.11 109.759 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.565 HG21 ' CE2' ' A' ' 106' ' ' PHE . 1.6 pp -102.45 162.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.81 -0.632 . . . . 74.22 111.703 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.87 99.19 7.11 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.626 -0.879 . . . . 61.52 108.626 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.86 128.11 39.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.612 -0.722 . . . . 75.22 109.282 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.529 ' CE2' HD13 ' A' ' 107' ' ' LEU . 13.6 p90 -124.35 118.88 27.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.314 0.578 . . . . 71.12 110.104 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 108' ' ' GLN . 77.1 mt-30 -94.3 114.11 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.45 -0.795 . . . . 65.33 110.027 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.9 170.09 8.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.933 -0.576 . . . . 61.41 110.302 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 p -141.52 -27.01 0.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.899 0.38 . . . . 64.31 111.321 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.579 ' HB3' ' HG3' ' A' ' 148' ' ' GLU . 19.7 t70 -98.7 146.0 26.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.28 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.701 ' HG2' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.32 -17.23 64.21 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.646 0.61 . . . . 74.45 112.646 -176.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 71.1 m -81.55 -16.98 50.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 51.25 110.449 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 145' ' ' ASP . 43.1 mt-10 -81.4 -29.07 34.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.421 . . . . 74.22 110.344 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 146' ' ' GLU . 26.4 ptm -93.66 8.53 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 62.11 110.958 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.2 m -68.88 152.03 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.256 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 64' ' ' ASP . 7.0 p80 -64.81 -25.61 67.98 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.877 0.325 . . . . 70.41 111.877 -173.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -58.93 -42.46 89.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.08 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 157' ' ' LYS . 60.4 mm-40 -80.96 -24.08 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.746 0.647 . . . . 70.04 112.746 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.65 -42.25 87.93 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.467 -0.493 . . . . 53.24 110.081 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 155' ' ' LEU . 7.1 tt -69.6 -39.08 77.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.9 -0.591 . . . . 72.54 109.582 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -62.51 -45.89 90.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.29 -0.414 . . . . 61.41 111.217 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 153' ' ' GLU . 60.0 mmtt -66.43 -39.86 89.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.989 0.423 . . . . 73.12 111.434 -175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.0 tp -82.43 -31.73 29.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.28 0.562 . . . . 72.21 110.47 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.465 ' HA2' ' HA3' ' A' ' 163' ' ' GLY . . . -76.55 -28.49 59.42 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.366 -0.834 . . . . 23.3 113.764 -174.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 161' ' ' LYS . 6.8 pt-20 -60.64 -45.27 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.644 0.722 . . . . 53.2 111.274 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -85.96 -69.83 0.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.741 -0.384 . . . . 73.44 112.025 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -91.82 -4.72 54.54 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.515 0.561 . . . . 73.53 112.515 -170.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.465 ' HA3' ' HA2' ' A' ' 159' ' ' GLY . . . -82.83 -76.75 1.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.309 -0.948 . . . . 62.14 111.519 177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -160.74 141.07 11.33 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.893 -0.41 . . . . 74.21 109.893 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.105 -0.95 . . . . 72.22 109.954 176.543 . . . . . . . . 0 0 . 1 stop_ save_