data_2hfq_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 2hfq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 121.084 0.469 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.421 HG21 ' HB1' ' A' ' 63' ' ' ALA . 14.4 pt -81.84 123.98 38.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -89.61 110.78 21.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.32 104.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.642 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -100.91 99.2 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.71 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.9 t70 -67.58 111.85 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.695 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 m -109.45 129.39 55.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 97.9 m-85 -100.27 111.83 24.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.457 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 54.2 t -118.93 109.57 27.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.238 0.542 . . . . 0.0 109.544 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.7 104.71 14.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.763 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 170.049 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.546 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 81.8 mmm -79.49 90.65 5.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.856 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' MET . 7.7 t-160 -99.21 95.18 6.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.949 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.55 150.79 52.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.925 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.38 136.28 45.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.473 0.654 . . . . 0.0 110.436 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG21 HG13 ' A' ' 78' ' ' ILE . 47.0 t -97.67 114.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.238 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB3' HD13 ' A' ' 71' ' ' ILE . 76.0 m-85 -84.29 111.85 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -140.05 161.26 38.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.257 0.551 . . . . 0.0 111.195 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.01 -16.13 25.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.829 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 28' ' ' ASP . 30.1 t -75.25 143.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -103.81 22.36 14.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.035 0.445 . . . . 0.0 111.356 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.541 ' H ' HG12 ' A' ' 26' ' ' VAL . 33.4 t70 -104.42 122.53 45.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.135 -176.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -36.17 83.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.246 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.588 ' HZ1' ' HB3' ' A' ' 30' ' ' LYS . 6.3 ttpm? -63.67 -43.9 95.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.265 176.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 57.8 mmtt -60.69 -38.14 83.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.195 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.64 87.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.291 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 62.7 mt -62.07 -49.15 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.412 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 32.5 tt0 -59.59 -48.33 82.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.466 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.95 -39.01 93.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.744 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.52 -43.28 94.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.667 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 58.9 mtpt -66.93 -41.91 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.202 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 53.3 mt-30 -60.41 -39.51 87.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 109.998 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -67.59 -43.2 81.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.789 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.1 mt -59.37 -47.3 85.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.986 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.9 m -63.21 -29.37 70.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -71.16 -51.35 25.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.611 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -77.63 -26.53 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.041 177.105 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.99 110.11 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 110.507 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 p -108.9 -174.05 2.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.335 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.638 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 61.7 m -65.43 -19.0 65.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.652 175.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.89 -29.86 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.763 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 6.4 mm-40 -82.35 -32.36 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.439 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.638 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 31.2 p -85.2 131.32 34.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.583 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 62.3 ttt180 -139.43 143.41 37.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.951 -175.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -110.58 122.04 46.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 76.6 m -84.35 -67.6 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.795 0.331 . . . . 0.0 110.516 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -177.18 -179.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -118.14 130.42 56.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.374 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.52 178.88 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.502 0.191 . . . . 0.0 111.029 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -64.34 148.35 50.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.529 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 68' ' ' ILE . . . -118.07 124.72 28.47 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.883 -173.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.501 ' O ' HG12 ' A' ' 68' ' ' ILE . 22.7 Cg_exo -66.19 155.56 69.16 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.947 2.431 . . . . 0.0 111.553 173.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.21 -37.0 61.62 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.812 0.445 . . . . 0.0 111.633 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -54.69 -55.18 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.979 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 m -71.51 -24.87 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.235 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 64' ' ' PRO . 50.0 mm -57.53 -50.2 77.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.205 0.526 . . . . 0.0 109.853 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -46.11 83.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.969 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.484 HD13 ' HB3' ' A' ' 23' ' ' PHE . 57.9 mt -70.99 -31.36 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.09 -34.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -91.1 -46.27 8.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.162 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -96.39 -17.79 20.38 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.67 -29.06 10.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.137 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -157.59 158.26 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -139.58 122.63 16.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.388 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.51 HG13 HG21 ' A' ' 22' ' ' VAL . 2.3 mp -97.27 130.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -108.6 133.27 52.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.139 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -76.2 87.73 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.508 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.7 ttm . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.526 HG22 HG21 ' A' ' 67' ' ' VAL . 10.9 pt -80.09 131.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 0.0 111.637 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -89.7 106.23 18.32 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.62 120.4 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.166 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.634 ' OH ' ' HA ' ' A' ' 27' ' ' ARG . 96.3 m-85 -106.67 115.38 30.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.567 0.698 . . . . 0.0 110.844 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.4 102.45 8.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.379 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 9.3 m -108.22 117.37 33.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.431 . . . . 0.0 111.501 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -101.58 108.13 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.47 174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG22 HD23 ' A' ' 40' ' ' LEU . 55.1 t -107.5 109.34 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -89.45 95.19 10.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.252 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.348 -179.667 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.329 0.585 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 62.2 mmm -89.8 106.22 18.32 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.591 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' THR . 11.9 p80 -114.27 125.29 53.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HA ' ' CB ' ' A' ' 81' ' ' MET . 25.6 p90 -143.44 171.58 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.049 -173.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' HB2' ' A' ' 81' ' ' MET . 5.1 m-20 -103.73 115.48 30.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.366 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 92.2 t -91.83 111.96 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -96.13 118.8 33.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -151.27 174.28 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -96.84 -30.29 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.511 . . . . 0.0 110.237 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.85 122.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.634 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 12.5 ptt85 -101.8 62.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.601 0.715 . . . . 0.0 110.075 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 31' ' ' LYS . 14.5 t70 -123.97 131.89 53.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 t70 -50.31 -64.54 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.816 0.697 . . . . 0.0 112.227 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.84 -34.94 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.798 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 21.2 tptm -60.73 -44.41 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.035 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.33 95.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.095 0.474 . . . . 0.0 111.006 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' A' ' 55' ' ' CYS . 60.5 mt -64.25 -37.55 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' OE1' ' HD2' ' A' ' 37' ' ' LYS . 1.5 tp10 -65.1 -35.17 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -62.01 -42.31 99.02 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 110.436 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.99 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 33' ' ' ILE . 85.6 mttt -64.41 -33.73 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 75.3 mt-30 -58.71 -40.95 85.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -69.36 -44.62 71.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.004 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD23 HG22 ' A' ' 10' ' ' VAL . 95.4 mt -61.16 -39.79 91.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.236 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -65.71 -32.59 74.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.181 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -74.21 -27.42 60.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.272 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.0 pt -98.02 -0.36 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 111.073 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.541 174.495 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.07 104.13 15.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 110.271 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 -161.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -64.03 -21.19 66.41 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 28.7 tt0 -85.03 -17.44 37.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.316 0.579 . . . . 0.0 110.199 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -94.89 -45.53 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.624 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.523 ' HB3' HG12 ' A' ' 33' ' ' ILE . 41.9 t -101.73 104.55 15.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.693 176.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 1.3 mpp_? -109.78 146.11 35.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.56 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -72.22 111.16 7.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 t -75.13 -63.3 1.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.039 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -179.53 177.33 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.232 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -95.61 135.71 36.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.49 158.55 44.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.001 0.429 . . . . 0.0 111.054 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -60.03 130.98 49.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.862 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 3' ' ' ILE . . . -92.89 116.98 67.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.938 -173.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' HG22 ' A' ' 67' ' ' VAL . 10.0 Cg_exo -72.33 148.23 48.7 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.884 2.389 . . . . 0.0 111.367 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -57.4 -28.09 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.411 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.76 -39.02 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.696 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.526 HG21 HG22 ' A' ' 3' ' ' ILE . 12.6 m -97.44 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.531 -171.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.38 -52.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.98 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -18.43 58.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.47 -50.43 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.14 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.27 -24.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.434 0.635 . . . . 0.0 110.135 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.39 -25.65 62.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -92.58 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.069 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -99.03 -36.83 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.588 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.17 0.67 54.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.94 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -155.32 116.43 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -108.61 116.46 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.248 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.27 109.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.122 0.486 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -94.03 123.1 37.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -75.82 93.18 3.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.039 0.447 . . . . 0.0 110.401 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.502 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 41.8 ttm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.376 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.576 HG21 HG23 ' A' ' 67' ' ' VAL . 18.4 pt -81.77 127.5 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.448 0.642 . . . . 0.0 111.83 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' HE1' ' HB3' ' A' ' 27' ' ' ARG . 9.9 m170 -90.31 118.75 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.828 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -90.78 106.39 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 57' ' ' PHE . 88.0 m-85 -105.28 95.58 5.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.05 175.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.61 107.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 16.7 m -106.08 119.76 40.04 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.072 -174.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.648 ' HD1' ' HD2' ' A' ' 19' ' ' HIS . 24.1 m-85 -112.36 80.11 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.234 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.0 t -78.25 118.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.03 0.443 . . . . 0.0 110.04 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -92.67 92.22 7.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.337 -176.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.532 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 79.7 mtp -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.171 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.648 ' HD2' ' HD1' ' A' ' 9' ' ' TYR . 39.1 m80 -90.55 102.78 15.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.228 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -149.65 158.05 43.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.4 128.6 47.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -97.48 102.65 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.999 0.428 . . . . 0.0 109.855 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 92.8 m-85 -87.51 116.33 25.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.007 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 p -136.11 160.5 38.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.574 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.8 -25.79 22.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.362 0.601 . . . . 0.0 109.565 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 28' ' ' ASP . 24.1 t -64.17 126.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.142 -176.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' HE1' ' A' ' 4' ' ' HIS . 33.8 ptt180 -96.87 21.03 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.954 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.578 ' H ' HG13 ' A' ' 26' ' ' VAL . 13.8 t70 -106.93 126.64 52.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.771 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.82 -30.95 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.832 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 21.7 tptm -76.03 -49.87 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.707 0.289 . . . . 0.0 110.702 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.64 -33.78 75.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.268 -174.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.46 94.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.359 173.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.535 HG12 ' SG ' ' A' ' 55' ' ' CYS . 74.5 mt -65.35 -39.69 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 53.6 mt-10 -56.15 -47.54 78.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.752 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.98 -34.86 79.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.729 0.299 . . . . 0.0 111.033 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.34 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 0.0 110.341 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 53.3 mtpt -71.37 -27.24 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 16.3 mm100 -59.13 -42.89 91.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 109.936 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -72.04 -41.45 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.93 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -68.67 -24.07 64.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.3 m -76.77 -34.68 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.155 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.55 14.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.46 . . . . 0.0 110.959 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.289 175.373 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.78 110.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -131.26 -162.79 1.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -58.77 -16.61 17.69 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.799 0.839 . . . . 0.0 113.029 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -82.1 -30.18 31.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 8' ' ' THR . 7.1 mp0 -83.33 -51.9 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.158 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.535 ' SG ' HG12 ' A' ' 33' ' ' ILE . 12.0 p -101.42 99.09 9.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.296 0.569 . . . . 0.0 110.182 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -95.89 121.21 37.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.945 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 80.8 t80 -75.59 99.41 4.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 83.0 m -86.2 -45.88 10.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -167.68 -178.3 3.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.449 0.642 . . . . 0.0 112.032 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.4 m -129.09 145.55 51.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.649 -1.16 . . . . 0.0 107.971 170.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.75 -176.51 4.91 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.269 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 84.9 tttt -60.78 125.66 24.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.054 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.13 113.46 57.33 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.409 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.538 ' O ' HG12 ' A' ' 68' ' ' ILE . 16.3 Cg_exo -68.97 155.72 67.6 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.835 2.357 . . . . 0.0 111.333 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.93 -32.68 69.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.131 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.11 -52.31 61.42 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.654 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.576 HG23 HG21 ' A' ' 3' ' ' ILE . 17.5 m -74.64 -25.56 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.556 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 64' ' ' PRO . 48.7 mm -61.22 -47.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.24 -50.32 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.747 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -49.88 75.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.834 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.66 -19.76 20.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 0.0 110.923 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -82.39 -27.6 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.851 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -106.18 -34.83 7.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.119 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -103.88 -26.88 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.948 0.404 . . . . 0.0 111.093 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.81 -11.88 70.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.663 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -148.56 158.11 43.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 52.9 t80 -140.6 114.01 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.471 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.22 110.24 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -98.78 114.22 26.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.13 101.04 2.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.625 0.726 . . . . 0.0 110.058 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.847 -176.788 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.408 0.147 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' SER . 7.8 pt -78.26 106.47 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.487 0.661 . . . . 0.0 110.256 173.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 7.0 m-70 -75.56 102.27 5.21 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.511 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.03 99.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.632 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 74.9 m-85 -96.28 101.17 12.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 0.0 110.492 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.95 107.41 7.01 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.019 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -105.46 128.87 53.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.04 0.448 . . . . 0.0 111.88 -169.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -102.55 90.16 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.233 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 60.6 t -93.19 104.23 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.131 0.491 . . . . 0.0 110.409 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.67 104.17 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.454 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.134 -176.566 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.527 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 91.6 mmm -67.12 103.01 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.907 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' O ' ' HB3' ' A' ' 81' ' ' MET . 10.5 t-160 -103.8 103.56 13.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.734 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 49.9 p90 -142.05 161.99 36.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.473 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -113.44 141.19 47.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.331 0.586 . . . . 0.0 110.685 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG23 HG13 ' A' ' 78' ' ' ILE . 34.4 t -108.28 117.05 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.617 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 89.9 m-85 -81.85 111.82 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.183 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -133.23 156.31 47.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.427 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -99.13 -4.11 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.408 0.623 . . . . 0.0 109.612 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 ' H ' ' A' ' 28' ' ' ASP . 22.3 t -72.46 144.62 12.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.569 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 19.5 ptt-85 -98.97 16.8 21.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.303 0.573 . . . . 0.0 110.645 -176.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 5.8 m-20 -119.58 123.47 44.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.594 -172.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.9 m-20 -66.45 -44.37 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.201 0.524 . . . . 0.0 109.804 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 33' ' ' ILE . 27.4 tptp -64.93 -34.17 77.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.466 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 56.2 tptt -74.59 -38.36 62.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.905 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.59 90.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 29' ' ' ASP . 91.0 mt -53.36 -47.1 58.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.138 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -41.17 87.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 26' ' ' VAL . 60.0 m-85 -67.52 -41.46 84.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.627 0.251 . . . . 0.0 110.904 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.35 97.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.548 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 52.4 mtpt -68.7 -29.78 68.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.9 -41.26 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.033 0.444 . . . . 0.0 110.263 174.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -68.5 -47.71 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.835 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.69 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -60.11 -28.89 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 0.0 111.33 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 m -77.91 -40.34 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.8 pt -78.45 -20.95 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.336 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.163 177.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.029 0.442 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.31 99.5 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.645 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -105.93 -168.6 1.46 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.729 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.516 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 11.6 t -69.28 -2.46 10.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.221 0.534 . . . . 0.0 110.088 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -89.84 -35.04 15.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.157 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -80.94 -29.72 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.214 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 26.3 p -92.07 102.75 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.194 0.521 . . . . 0.0 110.438 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -97.84 108.31 20.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.609 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -69.72 103.8 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -80.38 -53.75 6.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.747 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -170.92 179.58 3.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.424 0.631 . . . . 0.0 111.687 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 49.9 m -140.07 112.35 7.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.563 171.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -124.29 -167.76 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.886 -173.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -61.44 117.23 5.42 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.255 0.55 . . . . 0.0 110.926 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.23 126.37 83.51 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.534 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.65 141.23 45.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.306 2.004 . . . . 0.0 111.161 172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.04 -21.31 61.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.653 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.35 -53.15 61.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.01 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -75.58 -22.09 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.425 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.77 -45.91 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.991 0.424 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.34 -42.21 88.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.475 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.55 79.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.27 -27.61 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -71.56 -31.17 66.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.45 -46.78 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.722 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -95.59 -28.06 15.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.67 74.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.328 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -160.47 163.26 33.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.492 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 72.9 t80 -146.72 106.62 3.98 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.299 175.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.521 HG13 HG23 ' A' ' 22' ' ' VAL . 2.2 mp -85.79 117.87 31.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 66.8 t80 -93.97 120.69 34.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.787 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -72.58 96.91 2.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 48.7 ttm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 pt -79.6 128.12 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.209 0.528 . . . . 0.0 110.994 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -92.1 114.75 27.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.16 112.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 69.4 m-85 -110.67 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.368 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -92.4 102.46 14.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -98.27 123.51 42.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.054 0.454 . . . . 0.0 111.36 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -91.31 86.05 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.702 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.25 102.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.988 0.423 . . . . 0.0 109.913 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 5.8 mptt -78.48 93.3 4.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.989 -175.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 11' ' ' LYS . 21.3 t . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttp -80.2 119.67 23.28 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.219 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -109.65 126.88 54.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -146.73 146.84 30.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.572 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 18.5 m-20 -84.55 115.77 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 43.2 t -91.75 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.611 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 65.0 m-85 -84.62 114.97 22.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.072 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 p -120.25 151.36 39.27 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.978 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -90.61 -42.57 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.315 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.81 138.74 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.751 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -88.29 36.44 0.78 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.075 0.464 . . . . 0.0 110.916 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.86 133.53 54.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.329 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.8 -29.46 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 34.1 ttpt -78.05 -43.97 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 110.204 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -61.74 -31.74 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.963 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . . . -66.77 -34.33 77.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.546 176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 51' ' ' THR . 67.6 mt -63.29 -45.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.346 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -55.75 -41.35 73.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 176.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 22.6 m-85 -58.85 -46.77 86.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.761 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.59 -42.08 95.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.983 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 8.9 mtpm? -65.63 -36.13 82.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.242 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 48.9 mt-30 -62.38 -42.07 99.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.65 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -68.08 -38.93 82.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 68.3 mt -60.3 -40.42 90.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.636 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 m -63.36 -34.58 78.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.613 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 m -66.68 -47.29 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -79.7 -24.95 12.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.698 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.221 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.959 0.409 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.29 120.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.03 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' HD12 ' A' ' 33' ' ' ILE . 11.9 t -145.02 -168.8 3.03 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.778 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -51.3 -41.19 60.32 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.929 0.891 . . . . 0.0 112.685 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 111.048 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.06 -48.26 9.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.011 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 6.9 t -93.85 92.63 7.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.15 125.54 35.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.907 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -72.19 126.02 28.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.461 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.6 m -100.01 -73.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.89 176.76 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.653 0.74 . . . . 0.0 111.93 -173.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -123.39 107.23 11.39 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' OE2' ' HG2' ' A' ' 62' ' ' LYS . 10.7 tp10 -117.95 163.36 16.69 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.902 0.382 . . . . 0.0 111.11 -164.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' HG2' ' OE2' ' A' ' 61' ' ' GLU . 17.5 pttm -59.38 132.23 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.74 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.54 120.06 70.23 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.572 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.75 146.86 96.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.026 2.484 . . . . 0.0 111.549 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.3 -38.84 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.995 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.75 -48.9 77.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 m -70.86 -17.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.0 mm -53.44 -60.35 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.463 0.649 . . . . 0.0 110.603 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 38.0 mt-10 -71.15 -35.85 71.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.812 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.57 93.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.251 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -37.09 78.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.804 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -61.94 -34.71 76.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.834 0.349 . . . . 0.0 111.783 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 30.6 mm-40 -73.92 -40.5 63.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.062 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -109.99 -24.54 10.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 -9.14 56.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -158.94 168.84 25.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.469 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.611 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 91.1 t80 -136.57 124.05 22.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.564 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.6 mm -96.22 107.41 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.981 0.42 . . . . 0.0 110.635 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.6 t80 -105.82 117.92 35.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.506 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -76.12 92.2 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 111.001 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.415 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 26.8 ttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.21 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.2 pt -78.59 122.24 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.473 0.654 . . . . 0.0 111.224 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.466 ' CE1' ' HG2' ' A' ' 27' ' ' ARG . 12.6 m170 -89.74 128.36 36.1 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.773 172.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 23' ' ' PHE . 52.3 t -94.29 103.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.335 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -97.57 102.22 13.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.227 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' CG ' ' HE2' ' A' ' 19' ' ' HIS . 10.9 t70 -69.82 112.76 6.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.073 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -112.27 116.48 30.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.073 0.463 . . . . 0.0 111.838 -173.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -96.37 109.12 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.954 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -107.92 109.54 28.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 110.108 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -87.36 80.88 8.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.885 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 69.6 mtp -85.78 131.75 34.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 -175.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HE2' ' CG ' ' A' ' 7' ' ' ASP . 26.8 t-80 -125.15 99.54 6.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.391 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.96 147.46 52.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' HE1' ' A' ' 81' ' ' MET . 26.7 m-20 -96.19 120.13 35.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 110.994 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -88.05 110.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.014 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.527 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 23.0 m-85 -94.29 118.75 32.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.19 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.495 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.0 t -151.49 157.69 42.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.29 174.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -83.12 -19.22 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG13 ' H ' ' A' ' 28' ' ' ASP . 64.1 t -57.87 126.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.422 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.466 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 67.6 mtm-85 -98.06 23.38 8.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.986 -172.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.3 t70 -112.43 139.71 47.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.388 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' ILE . 7.9 p-10 -76.21 -47.11 25.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 33' ' ' ILE . 64.6 pttt -73.95 -26.12 60.32 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.614 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 4.6 mmtm -65.77 -43.78 87.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.219 173.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.072 0.463 . . . . 0.0 110.133 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 30' ' ' LYS . 83.1 mt -58.27 -48.45 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.441 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 48.9 mt-10 -56.54 -45.45 81.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.642 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' A' ' 76' ' ' TYR . 22.0 m-85 -56.17 -44.43 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.153 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -67.94 -42.67 80.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.971 0.415 . . . . 0.0 110.875 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -62.02 -36.81 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.376 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 19.0 mm-40 -59.25 -35.95 74.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -82.64 -42.83 17.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.847 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 95.6 mt -58.4 -45.57 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.724 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -69.14 -25.23 64.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.695 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 p -88.71 -28.71 20.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.416 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -80.76 -32.15 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.941 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.749 174.102 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG12 HG21 ' A' ' 33' ' ' ILE . 48.4 t -108.77 107.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 0.0 111.691 -173.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 p -111.42 -164.64 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -76.63 -3.99 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.469 . . . . 0.0 110.353 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -85.36 -29.76 24.2 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.09 -49.89 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.228 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 t -101.75 109.94 21.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -118.76 132.24 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.605 -173.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -72.8 113.72 10.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.453 ' HG ' ' HB2' ' A' ' 7' ' ' ASP . 96.0 m -105.48 -62.79 1.31 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.4 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -143.35 179.98 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.296 0.57 . . . . 0.0 111.55 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 m -139.38 160.13 40.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.4 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.43 176.9 11.55 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.477 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -57.5 141.15 48.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.34 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . . . -113.56 108.41 51.94 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.499 -176.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' O ' HG12 ' A' ' 68' ' ' ILE . 28.9 Cg_endo -64.67 150.52 88.06 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.388 2.059 . . . . 0.0 111.362 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.08 -25.94 61.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.576 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -82.28 -23.63 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.36 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 64' ' ' PRO . 34.9 mm -58.71 -52.86 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.257 176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.24 -31.95 71.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.657 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -46.67 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.107 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 24' ' ' THR . 62.0 mt -71.02 -38.04 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.366 0.603 . . . . 0.0 110.06 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -60.35 -33.53 72.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.922 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -88.06 -53.57 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -97.51 -17.3 19.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -171.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.24 -20.74 46.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.595 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.414 ' CG ' ' HB3' ' A' ' 35' ' ' PHE . 42.1 p90 -154.26 147.88 25.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.527 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 69.5 t80 -115.5 113.89 24.27 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -85.91 98.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.242 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -84.33 98.75 10.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -70.4 100.29 1.73 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.83 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.403 ' HE1' ' OD1' ' A' ' 21' ' ' ASP . 13.2 mtm . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 111.977 -174.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.459 HG23 ' HB1' ' A' ' 63' ' ' ALA . 5.3 pt -138.71 136.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.762 175.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 24' ' ' THR . 15.7 m170 -83.71 117.69 23.39 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -93.27 111.09 24.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.062 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 85.5 m-85 -108.81 99.72 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.95 88.87 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.748 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 28.1 m -83.87 118.25 23.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -170.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.87 107.66 19.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.248 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.6 t -107.5 115.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.166 0.508 . . . . 0.0 110.14 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.66 102.2 12.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.331 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.152 -179.304 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.347 0.594 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.421 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 78.0 mtp -80.64 90.37 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.861 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.748 ' HA ' ' O ' ' A' ' 8' ' ' THR . 12.4 p80 -105.63 130.06 53.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 110.133 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.4 166.92 23.43 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.079 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 13.0 m-20 -95.96 107.96 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 110.492 -175.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.6 t -84.91 98.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 68.9 m-85 -84.16 107.44 16.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.407 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 9.5 t -151.49 146.79 26.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -113.66 8.7 17.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.424 0.63 . . . . 0.0 109.962 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.45 111.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -76.04 76.57 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.679 -175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD2' ' HG2' ' A' ' 31' ' ' LYS . 51.9 t0 -149.56 114.1 5.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.96 -35.32 68.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.703 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 13.7 pttp -87.54 -13.69 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.102 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 25.6 mmtm -67.01 -36.78 82.91 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.62 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.004 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.16 -48.27 55.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.717 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 45.3 mt-10 -62.72 -40.55 97.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.53 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.94 -38.42 86.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.308 . . . . 0.0 110.778 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HE2' ' HB ' ' A' ' 50' ' ' VAL . 70.0 mmtt -57.45 -37.31 72.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.73 -49.99 75.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.973 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.19 -39.11 89.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.23 -41.15 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -64.1 -31.04 72.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 0.0 110.642 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -69.42 -45.59 68.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.765 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 pt -78.52 -23.44 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.575 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.726 176.542 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 11.0 m . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.475 ' HB ' ' HE2' ' A' ' 37' ' ' LYS . 40.1 t -130.03 96.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.478 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.2 p -109.86 -167.0 1.14 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -68.42 -9.44 48.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.62 -32.5 18.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 49' ' ' THR . 4.9 mp0 -80.74 -46.82 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.3 t -101.19 90.31 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -106.89 154.27 21.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.24 0.543 . . . . 0.0 111.625 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -79.01 105.82 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.405 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.73 -59.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.825 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.33 179.59 0.78 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 23.8 m -118.97 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.619 172.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -134.4 -175.53 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -77.99 135.05 37.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.057 0.456 . . . . 0.0 110.866 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' A' ' 3' ' ' ILE . . . -86.06 118.44 70.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.411 -173.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.72 149.38 78.79 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.422 2.082 . . . . 0.0 110.599 170.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' HA ' HG12 ' A' ' 68' ' ' ILE . 3.6 m-20 -64.23 -11.46 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.53 -37.08 82.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.7 m -95.86 -10.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 65' ' ' ASP . 44.9 mm -59.97 -56.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.614 0.245 . . . . 0.0 110.704 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.22 -43.53 67.32 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.59 -50.81 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.902 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.478 ' O ' ' HA2' ' A' ' 75' ' ' GLY . 63.1 mt -71.24 -32.87 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.097 0.475 . . . . 0.0 111.04 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 35.4 ttpt -72.47 -40.68 66.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.157 0.503 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -86.02 -60.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.627 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.36 -28.7 19.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.46 -6.43 57.6 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.257 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -155.82 153.55 29.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.823 0.344 . . . . 0.0 111.02 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 84.0 t80 -138.75 112.23 8.19 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.63 112.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 110.238 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.517 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 81.3 t80 -96.12 117.32 30.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 173.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -73.16 82.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.88 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.1 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.197 -177.383 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 23' ' ' PHE . 4.4 pt -83.26 128.48 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.201 0.524 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -90.23 107.41 19.12 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -87.04 112.32 22.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.149 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 52.3 m-85 -93.17 113.0 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.422 0.629 . . . . 0.0 110.841 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.685 ' HB2' ' HB2' ' A' ' 58' ' ' CYS . 22.6 t70 -74.38 96.09 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.5 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 m -107.23 123.69 48.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.134 0.493 . . . . 0.0 112.15 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -105.7 115.51 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.473 171.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.51 111.48 35.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.989 0.423 . . . . 0.0 110.076 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -82.67 80.89 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.302 -176.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.834 177.632 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.231 0.086 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.1 mtm -84.53 128.26 34.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.337 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -113.32 127.68 56.22 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.665 ' HA ' ' HG3' ' A' ' 81' ' ' MET . 38.8 p90 -153.5 160.91 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.672 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 40.6 m-20 -95.86 117.92 31.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.9 t -94.54 102.8 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.586 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 72.7 m-85 -92.8 114.99 27.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.348 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -142.39 154.57 44.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.958 0.408 . . . . 0.0 110.649 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.58 -13.2 40.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.87 109.21 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.458 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -86.06 85.58 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 13.9 t70 -136.54 128.34 29.13 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.79 -38.92 76.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.922 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -83.99 -40.21 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.612 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 68.5 mmtt -65.67 -35.75 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.18 77.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 0.0 110.36 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.745 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 8.8 tp10 -55.56 -50.03 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.731 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -41.17 97.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.88 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -77.0 -23.56 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.689 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 22.5 mt-30 -62.5 -40.94 98.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -66.74 -44.07 82.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.074 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.75 -41.01 81.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.173 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -70.9 -24.62 62.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.99 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 m -81.17 -29.02 34.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.099 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.5 pt -94.17 0.1 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.152 176.552 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.6 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.98 111.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.0 p -105.21 -169.06 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -72.31 -11.31 60.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.331 0.586 . . . . 0.0 110.224 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -82.86 -34.05 26.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HG3' ' HE3' ' A' ' 11' ' ' LYS . 7.6 mp0 -77.84 -46.26 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.9 t -93.99 91.58 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 29.8 mtp180 -88.33 168.06 13.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.805 -175.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -100.65 112.18 24.53 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 24.5 t -79.95 -66.02 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.199 -176.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -174.12 -178.76 1.53 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.694 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 m -130.11 130.84 45.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.376 175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -144.87 170.8 15.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.886 0.374 . . . . 0.0 111.111 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -70.66 124.32 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.791 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.77 135.66 55.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.447 -172.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' ILE . 60.1 Cg_endo -75.33 149.38 35.32 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.553 2.169 . . . . 0.0 111.151 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 24.3 t70 -55.2 -27.29 44.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.868 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.39 -40.88 62.63 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.79 -11.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.506 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.43 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 46.5 mm -61.79 -49.1 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.089 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.7 -28.39 68.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.728 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.49 -54.65 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.213 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.57 -33.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.197 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -74.51 -12.99 60.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.052 0.453 . . . . 0.0 110.647 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -97.58 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -88.49 -46.32 9.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.438 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.18 -6.88 8.7 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.111 -1.042 . . . . 0.0 113.431 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -151.56 126.18 9.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.307 0.554 . . . . 0.0 111.225 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 65.2 t80 -108.09 115.18 29.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.74 111.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.124 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.8 t80 -103.04 107.38 18.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -72.38 100.5 2.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.665 ' HG3' ' HA ' ' A' ' 20' ' ' PHE . 67.0 mtp . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.447 0.642 . . . . 0.0 109.652 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.4 pt -82.54 104.08 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.241 0.543 . . . . 0.0 111.435 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -72.61 107.25 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.519 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 20.0 t -85.04 120.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 123.365 0.416 . . . . 0.0 110.271 -175.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 96.9 m-85 -113.7 106.52 14.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.625 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 56' ' ' ARG . 4.9 m-20 -71.89 90.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 21.6 m -94.34 115.68 27.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -100.8 98.36 8.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.803 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 40' ' ' LEU . 41.5 t -99.57 113.86 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.0 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpm? -85.6 124.78 32.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.557 -177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.735 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.143 0.497 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.05 100.73 11.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.961 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.1 p80 -111.49 116.3 30.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.064 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -132.31 156.8 45.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.452 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 6.4 m-20 -84.82 112.79 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.1 t -96.31 113.83 31.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.965 175.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 79.2 m-85 -104.52 119.72 39.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -137.07 148.0 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -92.04 -30.9 15.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.17 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG13 ' HG3' ' A' ' 31' ' ' LYS . 47.3 t -61.04 124.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.155 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.4 80.81 5.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.881 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 15.8 t70 -160.89 134.02 6.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.26 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -76.87 -38.79 53.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.981 0.419 . . . . 0.0 110.414 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -64.25 -43.94 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.4 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG3' HG13 ' A' ' 26' ' ' VAL . 36.8 mmtm -57.05 -42.61 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.4 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.15 -43.13 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.61 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 3.5 tp10 -53.82 -52.99 58.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.425 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.8 -39.72 83.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.008 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.64 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.85 -33.14 74.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.895 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 25.5 mt-30 -60.08 -38.27 82.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 0.0 110.298 174.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -71.22 -45.84 62.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.252 0.549 . . . . 0.0 109.998 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 10' ' ' VAL . 49.5 mt -63.65 -32.0 73.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -77.53 -29.6 52.44 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.044 -0.41 . . . . 0.0 110.544 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.8 m -66.59 -38.37 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.81 -3.32 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.874 0.369 . . . . 0.0 111.096 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.471 175.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.678 0.275 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.5 t -122.7 109.46 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -164.09 0.91 Allowed 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 m -70.21 -5.64 28.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 0.0 110.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 -49.35 8.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.252 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -71.19 -36.62 72.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 14.3 t -92.27 97.61 10.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 96.4 mtt180 -87.63 113.69 23.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.699 -174.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -78.21 116.56 18.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.519 ' SG ' ' HB ' ' A' ' 5' ' ' VAL . 6.6 p -99.35 -57.92 2.05 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -162.61 179.27 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.0 111.752 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 m -134.0 120.88 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.003 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.04 168.09 17.26 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.417 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.04 114.14 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.657 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -70.42 144.72 92.14 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.751 -171.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 67' ' ' VAL . 24.2 Cg_exo -63.92 143.65 86.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.691 2.261 . . . . 0.0 110.715 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.96 -25.75 67.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.974 0.416 . . . . 0.0 111.479 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 64' ' ' PRO . 22.1 m -81.41 -12.78 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.25 -175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 63' ' ' ALA . 45.5 mm -60.88 -48.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -23.67 61.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.0 -51.64 15.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.094 0.474 . . . . 0.0 110.367 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.19 -26.67 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.152 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 34.6 ttpt -57.67 -39.86 78.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.406 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.912 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER -91.04 -42.36 10.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.802 -173.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -85.11 -33.84 22.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.958 0.409 . . . . 0.0 111.322 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.59 -6.2 70.62 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -160.29 170.05 21.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.995 -0.602 . . . . 0.0 109.503 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.8 t80 -146.69 125.24 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.3 111.72 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 69.0 t80 -91.16 119.72 31.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.9 87.52 0.72 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.1 ttm . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.44 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 63' ' ' ALA . 3.3 pt -109.21 126.82 66.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.408 0.623 . . . . 0.0 110.973 176.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -89.48 106.57 18.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.635 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.71 103.24 7.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.368 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -94.89 105.12 17.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.016 0.436 . . . . 0.0 110.886 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.788 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 48.7 t0 -71.3 103.7 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.216 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 11.9 m -103.51 102.32 12.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 48.1 m-85 -83.86 106.9 15.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.471 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 95.1 t -107.49 109.25 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.405 0.622 . . . . 0.0 109.754 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -78.6 101.06 7.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.041 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.381 0.61 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.471 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 65.9 mmm -84.18 101.45 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -101.16 102.51 13.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.62 0.724 . . . . 0.0 110.002 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.87 140.9 49.05 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -96.24 118.82 33.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.9 t -85.4 101.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.739 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.482 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 95.4 m-85 -84.07 115.64 22.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.786 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.5 p -132.07 145.51 51.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.175 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.9 -23.63 22.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.559 0.695 . . . . 0.0 109.48 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.3 143.44 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.869 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -99.69 36.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 111.21 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.96 120.3 41.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.454 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.94 -44.62 60.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.79 -173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -75.32 -27.13 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.573 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -57.93 -46.92 84.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.419 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.51 83.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.621 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 55' ' ' CYS . 67.8 mt -63.85 -45.96 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.594 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.88 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.87 -40.59 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 110.437 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.49 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.601 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.65 -31.23 71.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.12 -36.92 82.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.24 0.543 . . . . 0.0 109.546 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -67.62 -40.84 84.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.868 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.97 -28.7 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 t -74.87 -36.94 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -80.44 -22.6 40.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.1 pt -87.32 -7.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.691 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.939 176.485 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -114.37 120.95 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.686 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.1 p -132.67 -161.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.02 176.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -69.58 -11.27 60.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -44.2 16.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 36.1 mp0 -73.95 -46.99 40.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.923 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.7 t -100.72 109.53 21.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -117.31 167.73 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -100.64 120.6 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.084 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.788 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 63.1 m -79.91 -69.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.995 0.426 . . . . 0.0 110.181 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -174.01 -179.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.7 m -109.24 129.07 55.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.458 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.95 173.75 11.23 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.668 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -79.72 126.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.288 0.566 . . . . 0.0 110.113 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 3' ' ' ILE . . . -79.23 138.06 56.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.826 -170.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 Cg_exo -71.77 149.01 53.6 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.877 2.385 . . . . 0.0 110.664 168.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 68' ' ' ILE . 7.6 p-10 -57.12 -31.18 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.25 -39.33 94.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.3 m -82.43 -25.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.617 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 65' ' ' ASP . 95.8 mt -66.02 -52.0 53.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.985 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.48 -22.12 61.11 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.022 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.45 53.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.58 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 67' ' ' VAL . 82.6 mt -69.46 -38.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.37 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.62 -25.22 68.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.13 0.491 . . . . 0.0 110.732 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -84.77 -53.07 5.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.65 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -98.13 -20.44 17.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.32 -25.75 27.03 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.829 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -149.59 152.12 34.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 69.8 t80 -123.76 112.76 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.204 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.27 98.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.058 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 73.9 t80 -97.33 103.26 15.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.474 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -67.44 102.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.447 ' HE3' ' HB3' ' A' ' 81' ' ' MET . 13.5 tmm? . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -170.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.905 0.384 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.666 ' O ' ' HA ' ' A' ' 60' ' ' SER . 12.4 pt -121.7 154.46 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -95.65 108.31 20.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 82.6 t -89.61 112.44 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.147 0.498 . . . . 0.0 110.975 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -103.28 101.13 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.013 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 56' ' ' ARG . 9.8 t0 -67.69 104.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.142 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.436 HG21 HG23 ' A' ' 10' ' ' VAL . 10.3 m -102.76 125.27 49.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 0.0 111.813 -172.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -103.74 85.24 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.582 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 75.1 t -92.02 89.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.686 0.755 . . . . 0.0 109.41 176.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 37.1 ttpt -83.04 112.32 19.68 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.103 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 48.7 t . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.582 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 74.3 mmm -71.68 88.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 7' ' ' ASP . 14.1 t-80 -97.24 114.65 26.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.001 0.429 . . . . 0.0 110.026 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.11 152.15 36.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.525 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -96.08 119.86 35.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.988 0.423 . . . . 0.0 110.424 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 HG12 HG22 ' A' ' 24' ' ' THR . 61.6 t -91.02 108.23 19.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.938 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.524 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 20.6 m-85 -90.52 117.03 28.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.729 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.406 HG22 HG12 ' A' ' 22' ' ' VAL . 22.6 p -131.43 163.04 28.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.9 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -107.19 -4.46 18.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.299 0.571 . . . . 0.0 109.856 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 28' ' ' ASP . 43.2 t -78.59 146.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.102 -175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -98.84 22.09 10.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.5 t70 -121.47 122.91 40.8 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.481 ' O ' HG13 ' A' ' 33' ' ' ILE . 3.4 m-20 -61.48 -47.48 85.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.578 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -66.95 -35.95 81.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.672 -175.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.43 -48.33 79.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 175.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.12 95.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 29' ' ' ASP . 78.6 mt -58.17 -49.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.277 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.51 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.393 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.44 -45.29 93.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.633 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.38 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.054 0.454 . . . . 0.0 110.172 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.552 ' HB3' ' HZ3' ' A' ' 37' ' ' LYS . 10.4 mtpm? -62.94 -43.56 98.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.68 -34.01 76.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.756 0.313 . . . . 0.0 110.794 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' O ' HG12 ' A' ' 43' ' ' ILE . 52.4 t90 -65.29 -42.9 92.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 43' ' ' ILE . 96.9 mt -64.29 -39.82 94.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.795 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 m -60.02 -44.21 94.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 111.388 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -73.85 -26.18 60.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.98 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' TRP . 23.2 pt -91.83 -30.17 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.476 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.166 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.64 177.59 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.502 HG21 HG23 ' A' ' 51' ' ' THR . 30.6 m . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 121.096 0.474 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -80.68 103.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.382 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.502 HG23 HG21 ' A' ' 49' ' ' THR . 69.8 p -112.76 -174.27 2.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.79 177.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.55 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 p -70.89 1.12 5.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 111.09 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.51 -29.27 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.22 -26.35 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.566 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 28.9 p -105.03 111.76 24.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.338 0.59 . . . . 0.0 110.608 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 26.9 ttp180 -97.18 100.31 11.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -69.05 111.63 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.0 m -76.71 -67.38 0.71 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.1 p80 177.64 -164.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.41 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 11.5 t -112.35 123.62 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -125.03 175.96 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.04 122.69 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.899 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 3' ' ' ILE . . . -107.82 153.24 41.69 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.036 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.462 ' O ' HG12 ' A' ' 68' ' ' ILE . 6.7 Cg_exo -74.11 146.63 36.92 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.627 2.218 . . . . 0.0 110.96 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -21.36 61.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -55.26 -47.3 75.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.133 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 71' ' ' ILE . 30.6 m -88.62 -18.38 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.366 -175.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 64' ' ' PRO . 43.6 mm -60.04 -48.83 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.52 -34.2 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.78 82.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 67' ' ' VAL . 64.7 mt -67.55 -32.53 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.254 0.55 . . . . 0.0 110.354 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -72.27 -34.24 68.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -83.65 -56.42 3.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.562 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -81.54 -33.28 31.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.11 -13.25 40.74 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.71 159.51 24.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.322 -0.439 . . . . 0.0 109.986 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 64.3 t80 -126.8 126.06 42.75 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 172.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.69 102.41 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.983 0.421 . . . . 0.0 110.489 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -85.07 92.56 8.39 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.04 98.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -177.782 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 12.3 pm0 . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -93.42 121.88 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.284 0.564 . . . . 0.0 111.913 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.01 113.34 22.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.788 171.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.7 t -83.57 111.1 19.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -102.89 115.41 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.687 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.745 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.1 t70 -78.69 94.18 5.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 19.3 m -95.61 112.23 23.99 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.668 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -108.23 104.73 14.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.433 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -109.91 112.95 42.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.089 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -84.73 103.27 13.67 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.811 -173.728 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.09 0.472 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.1 mmm -87.52 97.66 10.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.423 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.67 ' HA ' ' O ' ' A' ' 8' ' ' THR . 8.2 p80 -126.48 120.45 29.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.678 0.752 . . . . 0.0 111.264 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.14 164.02 32.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.922 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.53 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 9.7 m-20 -95.83 114.59 26.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.461 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG11 HG22 ' A' ' 24' ' ' THR . 48.7 t -91.82 105.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.004 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.666 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 44.8 m-85 -87.75 112.69 22.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.473 HG22 HG11 ' A' ' 22' ' ' VAL . 19.1 p -118.85 121.95 41.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.496 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 9.9 t70 -81.12 -29.71 34.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.412 0.625 . . . . 0.0 109.619 172.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.58 114.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.083 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 27' ' ' ARG . 13.5 ttp180 -79.89 88.48 5.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.646 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 10.1 t70 -161.48 135.5 6.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.822 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.52 -26.47 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.646 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 25.1 pttm -90.45 -31.16 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.127 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 27.7 mmmt -61.22 -42.91 99.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.48 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.686 HG12 ' SG ' ' A' ' 55' ' ' CYS . 88.6 mt -61.0 -48.7 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.742 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 25.3 mm-40 -65.08 -37.11 86.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.791 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -57.97 -43.73 86.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.622 0.248 . . . . 0.0 111.069 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.88 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 110.514 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.59 -33.82 76.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.342 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 28.9 mt-30 -58.22 -35.33 71.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -74.21 -37.92 63.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.243 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.62 -37.78 82.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 t -67.65 -39.47 84.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.03 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -70.03 -39.24 75.89 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.416 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.6 pt -75.94 -22.58 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.019 0.437 . . . . 0.0 110.636 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.411 173.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.8 0.333 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 33' ' ' ILE . 75.5 t -106.58 99.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -114.78 -173.04 2.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.763 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.41 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 8.9 m -66.21 -13.56 60.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 0.0 110.826 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.96 -25.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.29 -42.19 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.183 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.686 ' SG ' HG12 ' A' ' 33' ' ' ILE . 15.4 p -98.73 96.01 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.7 ptt180 -100.23 145.69 27.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.514 -178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -83.28 134.02 34.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.121 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.745 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.4 m -100.96 -70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -163.57 177.56 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.926 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -123.53 130.55 52.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.106 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -138.87 174.0 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.073 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -68.97 122.87 19.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.596 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB3' HD12 ' A' ' 68' ' ' ILE . . . -87.13 129.24 52.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.042 -177.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' O ' HG12 ' A' ' 68' ' ' ILE . 51.1 Cg_exo -54.96 142.87 75.04 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.481 2.121 . . . . 0.0 111.103 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.92 -21.79 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 111.293 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.51 -51.96 60.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.802 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' PRO . 16.9 m -71.65 -20.68 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.449 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 64' ' ' PRO . 44.2 mm -58.95 -44.87 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.139 0.495 . . . . 0.0 110.105 175.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 37.1 tt0 -70.85 -33.26 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.67 78.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.04 -33.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.0 ttmm -50.71 -39.54 51.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.188 0.518 . . . . 0.0 111.023 174.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -87.81 -47.27 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.256 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -96.44 -29.48 13.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -171.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.82 -6.55 62.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -159.62 166.49 30.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.666 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 85.3 t80 -136.67 126.66 25.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.98 101.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.53 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 36.1 t80 -84.25 110.09 18.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -76.88 89.27 3.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 42.1 ttm . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.105 0.478 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -96.07 124.54 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -89.61 122.51 32.81 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -94.6 110.38 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.88 0.738 . . . . 0.0 111.149 -172.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -108.9 98.28 7.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.16 105.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -96.58 116.8 29.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.583 ' HA ' ' O ' ' A' ' 18' ' ' MET . 83.6 m-85 -100.83 110.96 23.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.944 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 97.5 t -107.74 114.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.248 0.547 . . . . 0.0 110.062 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -75.95 84.19 2.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.972 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.583 ' O ' ' HA ' ' A' ' 9' ' ' TYR . 58.2 mtt -79.6 127.44 32.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' A' ' 81' ' ' MET . 16.3 t-160 -119.3 110.58 17.15 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 169.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -136.95 145.92 44.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -96.26 119.91 35.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 111.019 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.98 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.956 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 27.8 m-85 -91.57 123.56 35.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.111 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -151.39 155.39 38.55 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.628 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -11.74 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.509 178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.65 100.26 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.572 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -86.0 63.52 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.594 0.711 . . . . 0.0 111.02 -176.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 1.1 m-20 -112.96 122.05 46.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.298 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.53 -36.61 78.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.465 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.4 -41.48 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 63.6 mmtt -66.04 -38.22 87.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.258 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -49.65 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.155 0.502 . . . . 0.0 110.473 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.489 HG22 ' HE2' ' A' ' 37' ' ' LYS . 85.1 mt -64.82 -43.06 96.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.779 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.6 tt0 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.663 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.94 -38.85 92.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.64 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HE2' HG22 ' A' ' 33' ' ' ILE . 57.6 mtmt -70.97 -29.52 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.4 mm100 -64.86 -45.8 84.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.0 110.071 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -65.04 -45.01 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.386 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 43' ' ' ILE . 84.1 mt -58.5 -37.95 76.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -62.51 -44.56 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.8 m -65.72 -44.94 84.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.738 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 HD13 HD21 ' A' ' 40' ' ' LEU . 44.7 pt -74.49 -9.44 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.857 176.276 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 23.8 t -82.55 118.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -134.31 -170.18 2.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.236 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -67.87 -13.69 62.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -81.99 -34.15 29.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.254 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.515 ' HG3' ' HA ' ' A' ' 50' ' ' VAL . 8.2 mm-40 -82.62 -49.02 10.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.914 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.1 p -93.5 128.74 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.682 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -119.64 120.29 36.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.704 0.288 . . . . 0.0 110.814 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.3 106.42 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.0 m -90.67 -57.69 2.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.837 -176.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -159.31 179.9 8.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.369 0.604 . . . . 0.0 111.883 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 m -132.31 146.86 52.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.527 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.91 166.85 27.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.751 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 147.97 43.9 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 68' ' ' ILE . . . -117.96 131.36 24.19 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.262 -168.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' HG21 ' A' ' 67' ' ' VAL . 25.1 Cg_exo -63.16 139.67 73.76 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.537 2.158 . . . . 0.0 110.702 171.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.96 -26.9 67.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.992 0.425 . . . . 0.0 110.765 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.09 -46.16 85.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.604 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 71' ' ' ILE . 18.2 m -77.15 -27.66 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.191 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 63' ' ' ALA . 45.6 mm -62.11 -37.51 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.518 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 5.6 tp10 -53.71 -38.42 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.54 22.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 67' ' ' VAL . 78.7 mt -61.42 -40.08 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.491 -177.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 69' ' ' GLU . 48.3 mtmt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.882 0.372 . . . . 0.0 111.659 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -90.48 -48.19 7.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.666 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -81.42 -32.9 32.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 111.368 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.41 -11.5 68.7 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -156.84 159.73 38.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 77.3 t80 -128.86 109.59 11.4 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -82.21 97.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.473 . . . . 0.0 110.427 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -79.31 98.66 6.77 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.01 96.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.704 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.0 ttm . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.573 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.347 0.594 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.607 HD11 ' CD1' ' A' ' 23' ' ' PHE . 11.7 pt -78.62 130.42 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.847 -173.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HA ' ' HE1' ' A' ' 57' ' ' PHE . 18.6 m170 -82.14 108.17 15.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.451 HG11 ' NE2' ' A' ' 59' ' ' HIS . 14.7 t -97.87 112.56 30.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.518 -173.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 86.3 m-85 -101.73 88.34 3.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.807 174.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.728 ' HB3' ' HG ' ' A' ' 58' ' ' CYS . 21.9 t0 -71.99 99.4 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.54 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 17.6 m -88.05 114.29 24.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.927 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -84.46 87.3 7.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.322 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.71 107.33 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.51 101.72 3.63 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.381 -173.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.095 0.474 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 63.6 mmm -96.2 90.54 5.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.988 175.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.54 ' HA ' ' O ' ' A' ' 8' ' ' THR . 6.0 p80 -110.41 150.14 29.25 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 7' ' ' ASP . 34.3 p90 -155.31 157.84 37.81 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.683 -172.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -96.0 108.02 20.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.189 0.519 . . . . 0.0 110.354 -174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.5 t -81.16 103.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.566 174.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' HD11 ' A' ' 3' ' ' ILE . 23.7 m-85 -91.47 118.47 30.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.8 t -148.66 142.3 25.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.433 171.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -88.08 -16.5 33.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.441 0.639 . . . . 0.0 109.714 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.12 139.71 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.071 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -97.52 87.94 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -162.91 105.63 1.04 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.573 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.067 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -70.68 -33.19 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.396 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -69.01 -39.15 79.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.444 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.98 97.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 0.0 110.063 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.482 HG21 HG13 ' A' ' 50' ' ' VAL . 83.4 mt -58.83 -42.5 85.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.374 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 10.2 tp10 -55.78 -49.48 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.442 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' HA ' HE21 ' A' ' 38' ' ' GLN . 24.3 m-85 -62.56 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.13 81.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.515 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.737 ' HZ2' ' HB2' ' A' ' 37' ' ' LYS . 10.4 mtmp? -64.71 -33.2 75.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' A' ' 35' ' ' PHE . 45.3 mt-30 -72.15 -29.87 64.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.66 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -76.52 -43.77 37.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.227 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.43 -33.65 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.668 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -74.07 -29.77 62.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 0.0 110.783 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -75.01 -36.11 61.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.36 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.0 pt -80.72 -17.53 12.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.579 175.073 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG13 HG21 ' A' ' 33' ' ' ILE . 15.9 t -70.49 99.4 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.541 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -140.13 -168.66 2.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.007 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -67.72 0.67 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 0.0 111.334 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.56 -50.44 8.8 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 120.918 0.389 . . . . 0.0 110.608 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -94.06 -32.22 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.0 t -104.45 106.93 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 95.6 mtt180 -130.09 164.13 25.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.516 ' HZ ' ' HG ' ' A' ' 60' ' ' SER . 75.6 t80 -84.71 99.27 10.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.728 ' HG ' ' HB3' ' A' ' 7' ' ' ASP . 83.4 m -86.88 -43.88 12.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.119 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' NE2' HG11 ' A' ' 5' ' ' VAL . 2.2 p80 -154.11 164.8 37.91 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.71 0.767 . . . . 0.0 112.689 -177.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.516 ' HG ' ' HZ ' ' A' ' 57' ' ' PHE . 11.8 m -109.51 118.33 36.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.899 -1.501 . . . . 0.0 107.285 171.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HB3' HD13 ' A' ' 3' ' ' ILE . 16.9 tp10 -118.11 147.05 43.67 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.798 -169.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -77.61 103.71 7.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.37 123.32 89.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.996 -174.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 68' ' ' ILE . 48.7 Cg_endo -70.58 159.41 52.88 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.446 2.098 . . . . 0.0 111.378 172.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.15 -33.39 62.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.768 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.27 -53.7 52.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.719 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -74.81 -24.41 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.042 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.9 mm -57.61 -46.9 86.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.058 0.456 . . . . 0.0 109.781 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.51 -48.68 80.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.656 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.17 89.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.805 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' A' ' 23' ' ' PHE . 81.9 mt -68.77 -39.41 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.99 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.47 -30.76 71.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.792 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.49 -49.61 9.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.842 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -95.46 -27.61 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -172.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.99 30.22 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -155.76 156.64 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.529 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 76.7 t80 -132.79 119.47 20.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.4 mm -90.46 108.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -104.47 113.57 27.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 108.59 12.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.8 ttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 109.902 179.265 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.984 0.421 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.471 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.8 pt -88.88 133.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.269 0.557 . . . . 0.0 110.965 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -90.17 106.84 18.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.65 105.19 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.73 104.58 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.61 96.86 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.448 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -93.15 124.21 36.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.227 0.537 . . . . 0.0 112.146 -167.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.46 102.19 12.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.575 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG23 HG22 ' A' ' 8' ' ' THR . 94.7 t -115.88 109.12 27.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 61.8 tttm -90.15 126.1 35.68 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.858 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.464 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 15.4 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mtp -79.89 113.34 17.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.215 0.531 . . . . 0.0 110.031 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -103.15 102.7 12.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.04 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -136.79 133.45 35.98 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.86 0.362 . . . . 0.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -95.96 129.43 43.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.486 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG13 HG23 ' A' ' 24' ' ' THR . 41.7 t -99.53 115.18 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.578 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.533 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 83.4 m-85 -88.07 115.51 25.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.976 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.469 HG23 HG13 ' A' ' 22' ' ' VAL . 31.8 p -126.01 148.27 49.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.114 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -93.03 -42.56 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.29 126.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.273 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -74.91 88.28 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.989 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -168.26 136.66 2.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.087 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -90.13 -32.34 16.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 25.8 ttpp -64.6 -44.28 91.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HG2' ' CE2' ' A' ' 35' ' ' PHE . 15.4 ttmm -66.34 -27.61 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.26 99.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 109.741 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.551 HG12 ' SG ' ' A' ' 55' ' ' CYS . 66.2 mt -61.99 -44.75 99.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.142 175.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 42.0 mt-10 -56.98 -47.38 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.503 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 31' ' ' LYS . 18.7 m-85 -64.97 -42.09 94.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.964 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.87 -48.11 83.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' ' 33' ' ' ILE . 56.6 mtmt -66.65 -39.36 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.313 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 29.0 mt-30 -59.82 -45.51 92.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.437 177.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -64.38 -45.85 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.62 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.3 mt -58.39 -43.23 88.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.649 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -65.15 -33.92 77.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.627 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t -68.92 -40.77 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.2 pt -86.91 -9.47 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.167 175.638 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -119.03 105.04 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.697 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -111.72 -174.89 2.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 173.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.426 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 36.3 t -68.06 -5.03 15.41 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.83 -40.95 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.38 -37.06 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.551 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.3 p -93.14 93.48 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 0.0 109.808 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -101.8 123.5 45.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 92.6 t80 -78.07 105.49 9.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.703 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 78.6 m -83.94 -52.53 6.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.094 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -159.15 177.19 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.356 0.598 . . . . 0.0 111.46 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.574 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 9.2 t -139.47 131.37 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.642 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.27 177.57 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.19 125.76 28.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -75.92 139.75 69.91 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.454 -173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 67' ' ' VAL . 40.8 Cg_exo -57.54 145.73 87.45 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.674 2.249 . . . . 0.0 110.492 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' HA ' HD13 ' A' ' 68' ' ' ILE . 20.5 t70 -62.95 -32.64 74.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -166.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.5 -27.66 37.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.051 -0.406 . . . . 0.0 111.588 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 64' ' ' PRO . 2.4 m -76.4 -24.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.127 0.489 . . . . 0.0 110.295 -177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 65' ' ' ASP . 94.6 mt -62.85 -50.14 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.335 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.39 -32.66 71.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 0.0 110.217 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.855 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 67' ' ' VAL . 79.3 mt -71.61 -27.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 0.0 110.827 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 74.4 mmtt -74.2 -36.42 63.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.178 0.513 . . . . 0.0 110.419 176.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -77.77 -52.58 8.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -86.76 -23.25 25.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.47 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.32 -28.3 14.68 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -156.09 152.21 27.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.533 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 56.3 t80 -119.72 119.27 33.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -103.28 116.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -103.33 125.78 50.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -83.7 95.33 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 -176.252 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 60' ' ' SER . 20.2 pt -108.77 132.66 56.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.115 0.483 . . . . 0.0 111.027 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 19.3 m-70 -95.29 109.08 21.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.49 108.83 18.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.519 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 36.3 m-85 -101.76 99.84 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.864 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -72.29 107.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 15.2 m -97.66 104.82 16.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -83.26 102.29 11.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.64 113.34 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.248 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -74.04 96.39 2.68 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.281 -174.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.405 0.622 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 27.7 ttt -86.42 90.62 8.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.061 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 8' ' ' THR . 2.8 p80 -114.31 135.5 54.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.8 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -132.48 169.23 16.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 -173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -95.76 112.88 24.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.458 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.9 t -90.63 99.55 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 73.5 m-85 -86.52 108.38 18.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.142 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.648 ' HB ' HG12 ' A' ' 26' ' ' VAL . 23.2 p -127.76 138.11 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -100.77 -10.14 21.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 24' ' ' THR . 12.5 p -59.14 -28.27 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.259 -178.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.618 ' HG3' ' CE1' ' A' ' 4' ' ' HIS . 9.3 ttm180 69.05 22.84 6.76 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.68 175.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.543 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.1 t70 -115.27 120.98 41.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.044 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.51 -47.59 81.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -175.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -66.86 -38.43 86.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.952 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 tppt? -66.61 -40.75 88.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.8 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.46 HG12 ' HB3' ' A' ' 55' ' ' CYS . 72.6 mt -66.16 -38.01 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.69 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.19 -41.77 89.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.733 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 17.1 m-85 -68.57 -37.4 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.52 99.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.19 -49.82 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.61 -20.96 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.624 0.249 . . . . 0.0 111.353 -177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -77.9 -39.94 41.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.34 -43.25 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -70.34 -23.07 62.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 t -72.32 -36.4 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -92.14 -19.48 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 111.6 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.24 175.195 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 33' ' ' ILE . 32.2 t -82.37 106.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.176 0.512 . . . . 0.0 111.141 -173.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -116.18 -175.19 2.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.283 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 m -68.99 -10.64 58.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.688 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -78.6 -31.58 47.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.074 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.28 -48.67 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.811 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 46.1 t -94.87 97.49 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -107.53 118.37 36.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.139 0.495 . . . . 0.0 111.735 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.454 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 65.6 t80 -58.62 122.31 13.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.171 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.97 -56.98 2.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -164.33 167.3 19.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 111.876 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 15.7 m -123.27 131.37 53.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.022 174.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -158.12 -168.09 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.708 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -71.82 151.79 43.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.466 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.81 145.52 58.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.396 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.587 ' O ' HG12 ' A' ' 68' ' ' ILE . 33.3 Cg_endo -65.31 153.68 77.14 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.877 2.384 . . . . 0.0 112.4 176.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.89 -41.14 44.99 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.78 -55.03 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.958 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.6 m -69.39 -26.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.246 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.1 mm -53.54 -57.53 5.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.856 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.509 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.91 -48.81 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 67' ' ' VAL . 86.8 mt -64.24 -37.67 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.595 0.236 . . . . 0.0 111.102 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE2' HG21 ' A' ' 68' ' ' ILE . 54.9 mtmt -70.14 -17.87 63.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -99.76 -49.4 4.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 0.0 110.541 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -81.04 -26.94 35.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.77 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.17 42.24 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.531 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -163.66 154.81 16.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.0 t80 -127.73 126.88 42.66 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.89 113.51 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 110.786 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -109.77 122.4 47.4 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -75.37 107.0 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.326 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.62 0.248 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 63' ' ' ALA . 1.9 pt -93.64 124.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.356 0.598 . . . . 0.0 110.906 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -83.07 106.59 15.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.56 106.41 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 123.449 0.468 . . . . 0.0 111.272 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -104.56 98.22 8.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.56 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.488 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.1 t70 -72.09 106.81 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.777 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 14.5 m -110.63 102.57 11.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.133 0.492 . . . . 0.0 111.526 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.99 92.62 6.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 87.6 t -87.1 106.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -77.51 94.72 4.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.446 178.068 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.233 0.188 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.451 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 97.3 mmm -71.9 110.01 6.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.416 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -91.39 102.81 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -158.78 156.47 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.21 152.68 47.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.264 0.554 . . . . 0.0 110.623 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -107.42 115.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.848 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 60.3 m-85 -91.35 113.48 25.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.1 t -131.82 150.75 52.06 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.566 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -86.52 -20.21 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.594 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG13 ' H ' ' A' ' 28' ' ' ASP . 95.5 t -63.17 141.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.345 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -102.38 23.55 11.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.315 0.578 . . . . 0.0 110.308 -174.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.5 t70 -118.18 120.84 38.93 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.361 -175.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.79 -35.66 81.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.96 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.03 -37.05 72.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.764 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 63.0 mmtt -65.81 -37.43 86.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.189 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.32 94.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.063 0.459 . . . . 0.0 110.006 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG12 ' SG ' ' A' ' 55' ' ' CYS . 77.2 mt -61.11 -43.72 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.453 174.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 36.4 tt0 -56.91 -51.44 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.785 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.61 -40.73 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.91 -43.02 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 0.0 110.236 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.48 -37.73 88.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.517 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.1 mt-30 -56.24 -38.14 70.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -76.71 -38.63 53.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.13 0.49 . . . . 0.0 110.161 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD22 HD12 ' A' ' 43' ' ' ILE . 95.7 mt -65.05 -30.18 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -67.27 -36.22 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -69.55 -40.29 76.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.48 HD12 HD22 ' A' ' 40' ' ' LEU . 32.0 pt -86.75 -10.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.985 0.421 . . . . 0.0 111.003 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.199 176.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.14 97.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.517 0.675 . . . . 0.0 110.14 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 t -131.43 179.13 6.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.456 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -48.46 -25.79 1.82 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.44 1.096 . . . . 0.0 113.053 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.82 -35.57 43.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -93.4 -28.67 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.923 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.488 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.8 p -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 171.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -92.73 124.99 37.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.146 -173.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -74.26 123.98 25.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.303 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 59.4 m -87.77 -63.9 1.23 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.705 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -175.78 -177.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.942 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m -119.53 125.7 49.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.522 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.07 177.48 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -66.59 144.65 56.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 3' ' ' ILE . . . -94.14 126.48 48.52 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.39 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 67' ' ' VAL . 33.1 Cg_exo -61.6 129.41 27.82 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.156 1.904 . . . . 0.0 110.114 170.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.503 ' HA ' HD13 ' A' ' 68' ' ' ILE . 33.9 t70 -55.45 -30.1 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.913 0.387 . . . . 0.0 111.506 -174.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.77 -22.11 63.75 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.336 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.5 m -103.42 -12.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 111.34 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 65' ' ' ASP . 61.8 mt -76.69 -36.58 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -167.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.35 -39.41 92.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.04 93.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.02 -34.03 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.9 -36.84 84.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -85.05 -44.7 12.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -94.82 -31.72 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.65 -6.98 63.1 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.46 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -155.4 151.48 27.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.664 0.269 . . . . 0.0 110.505 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.4 t80 -124.3 110.59 14.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.5 mm -83.81 99.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.977 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 81' ' ' MET . 91.0 t80 -85.72 110.73 19.53 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.675 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -76.91 93.37 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 48.4 ttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.63 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 60' ' ' SER . 10.3 pt -95.75 127.47 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.233 0.54 . . . . 0.0 111.36 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.24 112.76 18.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.467 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.65 103.13 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.417 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 98.3 m-85 -105.84 88.41 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.52 173.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.63 120.26 23.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 121.599 0.714 . . . . 0.0 109.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 6.1 m -101.79 134.23 45.29 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.079 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -104.38 84.35 2.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.204 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.547 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 48.9 t -89.6 119.26 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 12.0 mptt -82.43 95.67 7.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.364 -175.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.547 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 90.6 mmm -79.92 90.75 5.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.3 t-160 -98.44 101.12 12.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.656 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.64 149.9 46.62 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.962 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 5.8 m-20 -96.0 116.07 28.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.369 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 HG23 ' A' ' 24' ' ' THR . 47.0 t -87.96 98.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.485 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 41.9 m-85 -84.06 116.4 22.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.743 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 22' ' ' VAL . 9.0 p -129.35 140.8 51.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.617 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.08 -35.4 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -60.45 119.87 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.57 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.752 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -94.51 36.63 1.15 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.411 0.624 . . . . 0.0 110.974 -173.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -102.46 154.31 19.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.946 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -86.32 -46.71 10.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -71.28 -39.8 71.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.774 -174.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -59.79 -40.0 86.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.66 84.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 HG13 ' A' ' 50' ' ' VAL . 83.6 mt -62.95 -37.99 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.685 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 40.0 tt0 -64.33 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.41 -36.98 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.09 91.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.171 0.51 . . . . 0.0 110.564 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 34' ' ' GLU . 8.3 mtmp? -73.63 -26.78 60.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.158 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.8 mm100 -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -66.01 -37.66 86.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.362 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.7 -37.78 87.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.479 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -66.07 -38.12 87.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -59.98 -45.53 92.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.925 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -79.15 -11.54 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.246 0 C-N-CA 120.426 -0.893 . . . . 0.0 113.739 174.157 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.112 0.482 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG13 HG23 ' A' ' 33' ' ' ILE . 51.2 t -104.03 108.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.349 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.6 p -106.58 -172.5 2.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.799 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -83.16 -8.53 59.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -85.64 -39.91 16.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.446 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 9.4 mm-40 -74.95 -46.59 34.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.407 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 15.6 t -95.44 95.73 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -97.36 135.46 39.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.61 -167.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -92.76 107.22 19.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.04 -65.6 0.98 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.725 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -166.41 -178.39 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.769 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.8 m -115.67 113.22 23.22 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -118.91 -177.0 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.39 . . . . 0.0 111.515 -173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.644 ' H ' ' HD2' ' A' ' 62' ' ' LYS . 2.8 mptp? -69.75 142.19 53.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.269 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB3' HG22 ' A' ' 3' ' ' ILE . . . -110.36 116.36 53.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.561 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.6 Cg_exo -74.24 157.47 45.93 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.739 2.293 . . . . 0.0 111.019 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 29.3 t70 -55.06 -24.27 24.2 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 111.721 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -49.09 -48.99 43.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.07 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.83 -21.46 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.2 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.9 mm -54.29 -59.87 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -30.91 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -53.83 9.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.739 0.304 . . . . 0.0 111.149 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.68 -33.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -71.97 -24.77 61.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.151 0.5 . . . . 0.0 111.177 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -85.26 -57.64 3.0 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -97.23 -40.29 8.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.568 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.51 -30.97 2.64 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.101 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -145.93 168.73 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.904 0.352 . . . . 0.0 111.18 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.485 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 66.7 t80 -132.01 119.99 21.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 110.332 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.3 mm -94.86 102.84 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.671 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 82.0 t80 -85.04 112.71 20.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.344 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.34 98.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.68 172.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.443 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 46.3 ttm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.548 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 60' ' ' SER . 43.0 pt -110.37 149.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.713 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.643 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 9.2 m170 -89.57 121.74 32.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.86 176.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.79 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 95.7 m-85 -109.59 104.31 13.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.184 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.66 107.4 4.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -106.66 120.7 42.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 111.829 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -86.84 102.23 14.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.367 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -107.88 109.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.479 . . . . 0.0 110.101 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -83.87 105.0 14.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.463 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.373 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 73.5 mtp -79.84 116.61 20.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.53 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -102.73 116.91 33.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 45.3 p90 -144.96 149.86 35.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -96.06 113.39 25.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.596 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -83.61 103.01 10.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 42.4 m-85 -83.7 107.37 16.09 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -122.71 145.57 48.27 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.768 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' HB2' ' CG2' ' A' ' 71' ' ' ILE . 5.3 t70 -79.69 -42.0 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 0.0 110.557 175.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' A' ' 31' ' ' LYS . 8.8 t -64.77 142.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.544 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 55.1 mtm180 -98.05 23.21 8.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.97 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' H ' HG13 ' A' ' 26' ' ' VAL . 4.3 m-20 -104.54 121.81 44.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.229 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -61.03 -39.62 90.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -59.13 -38.25 79.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 40.9 tptt -74.96 -39.49 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.55 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 109.966 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 HG22 ' HE2' ' A' ' 37' ' ' LYS . 83.0 mt -59.68 -43.45 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.393 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.34 -46.1 91.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.072 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 13.0 m-85 -61.0 -41.13 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.805 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.69 -43.76 95.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HE2' HG22 ' A' ' 33' ' ' ILE . 53.2 mtmt -70.56 -34.29 72.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.391 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.027 0.441 . . . . 0.0 109.966 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -68.86 -43.83 74.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.981 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.7 mt -59.35 -40.45 86.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.4 m -62.35 -36.23 81.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.691 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -71.16 -39.01 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.816 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 40' ' ' LEU . 39.6 pt -80.87 -8.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.403 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.73 173.433 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.91 96.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.171 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -125.4 -168.09 1.78 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.058 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -56.54 -25.42 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.27 0.356 . . . . 0.0 111.758 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.66 -43.97 44.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.273 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -76.37 -33.52 58.92 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.61 114.6 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.218 0.532 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -102.09 126.29 49.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -79.27 107.87 12.35 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 60.0 m -73.91 -60.03 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 178.01 -178.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.253 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 19.7 m -122.25 120.92 35.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -135.68 170.7 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.828 0.347 . . . . 0.0 111.544 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.84 128.45 35.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.987 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 3' ' ' ILE . . . -98.41 152.27 37.87 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.508 -176.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.41 ' O ' HG12 ' A' ' 68' ' ' ILE . 31.4 Cg_exo -59.57 142.47 98.9 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.443 2.096 . . . . 0.0 110.782 172.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.38 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.962 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.38 -48.55 81.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.607 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 71' ' ' ILE . 21.0 m -79.04 -13.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.746 0.308 . . . . 0.0 111.131 -175.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.4 mm -62.0 -33.4 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -45.54 94.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.672 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.17 89.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.992 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 67' ' ' VAL . 46.4 mm -67.16 -36.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 0.0 110.807 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.96 -30.88 56.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.99 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -83.5 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.392 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.11 -24.34 18.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.25 -8.4 58.91 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -156.76 160.34 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 82.9 t80 -137.41 123.69 20.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.583 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.5 mm -94.13 108.03 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -111.34 116.01 30.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.02 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 55.7 mtmt -80.26 131.81 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.949 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 34.6 ttm . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.459 -176.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HB ' ' HD1' ' A' ' 23' ' ' PHE . 12.1 pt -70.72 123.64 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.664 . . . . 0.0 111.875 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -94.04 113.85 25.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 23' ' ' PHE . 27.1 t -87.22 108.33 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.878 -175.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.533 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 86.8 m-85 -107.43 92.81 4.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 12.2 t70 -69.55 105.73 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -107.24 122.11 45.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.132 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 74.8 m-85 -85.58 126.85 34.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.392 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 40' ' ' LEU . 60.7 t -120.79 111.8 33.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -78.84 107.18 11.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.929 0.395 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtm -102.91 142.16 34.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.05 137.89 31.39 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -136.61 169.22 18.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.598 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 11.3 m-20 -95.69 111.76 23.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.4 t -87.77 105.13 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 93.3 m-85 -94.46 113.15 24.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.582 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -140.48 157.62 45.24 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.223 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.96 -15.14 25.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.227 0.537 . . . . 0.0 110.069 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.67 131.12 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -98.14 81.75 2.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -168.76 132.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.052 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.38 -33.13 32.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.74 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -67.92 -44.73 76.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -65.38 -33.84 76.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.236 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.95 83.66 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.439 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.15 -40.87 79.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.206 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 tt0 -59.13 -47.04 86.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.755 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -59.19 -43.4 92.22 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.74 -44.19 93.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.998 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.18 -34.72 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.6 mm100 -57.7 -46.47 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.719 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -65.08 -40.43 94.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.258 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 91.6 mt -64.75 -44.3 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.335 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 m -61.96 -34.58 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.996 0.427 . . . . 0.0 110.425 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -71.66 -45.57 61.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -72.12 -23.45 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.12 176.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.25 101.87 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.147 0.498 . . . . 0.0 109.822 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 p -121.41 -168.08 1.62 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.139 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 m -69.79 -7.04 36.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -82.56 -42.85 17.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.149 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 12.5 mm-40 -89.82 -42.95 10.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.072 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.91 109.07 21.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -125.46 147.45 49.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -87.26 112.82 22.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 72.8 m -91.22 -48.19 7.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.816 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -169.15 172.84 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.392 0.615 . . . . 0.0 110.761 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -144.46 139.13 28.13 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.888 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -162.59 178.25 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.298 -169.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -54.02 110.81 0.64 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 124.034 0.834 . . . . 0.0 111.082 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.85 129.73 69.67 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.919 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.532 ' O ' HG23 ' A' ' 67' ' ' VAL . 31.8 Cg_exo -59.54 144.38 99.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.504 2.136 . . . . 0.0 110.889 171.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.701 0.286 . . . . 0.0 111.756 -174.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.32 -34.41 76.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 64' ' ' PRO . 14.6 m -73.9 -18.79 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.683 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.497 HG21 ' HE3' ' A' ' 72' ' ' LYS . 45.4 mm -62.36 -38.4 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.084 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 10.3 tp10 -60.12 -44.4 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.08 93.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.939 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 67' ' ' VAL . 63.3 mt -66.75 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.497 ' HE3' HG21 ' A' ' 68' ' ' ILE . 99.4 mttt -67.73 -55.41 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.14 0.495 . . . . 0.0 110.637 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 70.2 mm-40 -69.59 -50.33 45.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.154 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.96 -19.01 19.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.316 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.74 -13.32 67.04 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.303 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -161.54 142.37 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.439 . . . . 0.0 110.141 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 65.0 t80 -106.28 115.88 30.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 176.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.8 mm -90.09 109.79 21.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.522 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 43.3 t80 -96.4 106.41 18.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.31 99.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.262 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.9 ttm . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.405 176.214 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -101.35 116.7 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.084 0.469 . . . . 0.0 110.415 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 HG21 ' HB1' ' A' ' 63' ' ' ALA . 14.4 pt -81.84 123.98 38.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -89.61 110.78 21.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.32 104.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.642 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -100.91 99.2 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.71 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.9 t70 -67.58 111.85 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.695 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 m -109.45 129.39 55.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 97.9 m-85 -100.27 111.83 24.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.457 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 54.2 t -118.93 109.57 27.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.238 0.542 . . . . 0.0 109.544 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.7 104.71 14.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.763 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.41 154.61 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -69.61 -67.15 0.5 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.575 -174.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -118.91 -11.7 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.494 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.87 -77.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.477 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -178.03 145.44 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.7 114.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.546 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 81.8 mmm -79.49 90.65 5.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.856 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 7.7 t-160 -99.21 95.18 6.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.949 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.55 150.79 52.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.925 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.38 136.28 45.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.473 0.654 . . . . 0.0 110.436 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG21 HG13 ' A' ' 78' ' ' ILE . 47.0 t -97.67 114.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.238 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB3' HD13 ' A' ' 71' ' ' ILE . 76.0 m-85 -84.29 111.85 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -140.05 161.26 38.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.257 0.551 . . . . 0.0 111.195 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.01 -16.13 25.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.829 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 28' ' ' ASP . 30.1 t -75.25 143.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -103.81 22.36 14.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.035 0.445 . . . . 0.0 111.356 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.541 ' H ' HG12 ' A' ' 26' ' ' VAL . 33.4 t70 -104.42 122.53 45.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.135 -176.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -36.17 83.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.246 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' HZ1' ' HB3' ' A' ' 30' ' ' LYS . 6.3 ttpm? -63.67 -43.9 95.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.265 176.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 57.8 mmtt -60.69 -38.14 83.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.195 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.64 87.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.291 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 62.7 mt -62.07 -49.15 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.412 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 32.5 tt0 -59.59 -48.33 82.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.466 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.95 -39.01 93.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.744 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.52 -43.28 94.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.667 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 58.9 mtpt -66.93 -41.91 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.202 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 53.3 mt-30 -60.41 -39.51 87.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 109.998 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -67.59 -43.2 81.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.789 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.1 mt -59.37 -47.3 85.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.986 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 44.9 m -63.21 -29.37 70.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 177.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -71.16 -51.35 25.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.611 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -77.63 -26.53 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.05 0.28 24.04 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.041 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -99.68 46.04 0.98 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.459 0.647 . . . . 0.0 109.974 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 30.3 tt0 -75.87 -12.56 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.366 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.94 65.08 3.29 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.492 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.17 154.12 28.78 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 122.469 0.308 . . . . 0.0 110.391 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.2 m -104.22 120.86 42.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.385 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.99 110.11 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 110.507 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 p -108.9 -174.05 2.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.335 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.638 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 61.7 m -65.43 -19.0 65.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.652 175.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.89 -29.86 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.763 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 6.4 mm-40 -82.35 -32.36 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.439 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.638 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 31.2 p -85.2 131.32 34.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.583 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 62.3 ttt180 -139.43 143.41 37.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.951 -175.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -110.58 122.04 46.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 76.6 m -84.35 -67.6 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.795 0.331 . . . . 0.0 110.516 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -177.18 -179.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -118.14 130.42 56.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.374 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.52 178.88 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.502 0.191 . . . . 0.0 111.029 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -64.34 148.35 50.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.529 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 68' ' ' ILE . . . -118.07 124.72 28.47 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.883 -173.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.501 ' O ' HG12 ' A' ' 68' ' ' ILE . 22.7 Cg_exo -66.19 155.56 69.16 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.947 2.431 . . . . 0.0 111.553 173.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.21 -37.0 61.62 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.812 0.445 . . . . 0.0 111.633 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -54.69 -55.18 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.979 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 m -71.51 -24.87 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.235 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 64' ' ' PRO . 50.0 mm -57.53 -50.2 77.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.205 0.526 . . . . 0.0 109.853 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -46.11 83.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.969 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.484 HD13 ' HB3' ' A' ' 23' ' ' PHE . 57.9 mt -70.99 -31.36 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.09 -34.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -91.1 -46.27 8.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.162 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -96.39 -17.79 20.38 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.67 -29.06 10.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.137 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -157.59 158.26 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -139.58 122.63 16.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.388 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.51 HG13 HG21 ' A' ' 22' ' ' VAL . 2.3 mp -97.27 130.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -108.6 133.27 52.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.139 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -76.2 87.73 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.508 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.7 ttm -67.43 -65.26 0.71 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -99.78 154.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.736 177.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.9 12.08 66.78 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.39 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 p -82.74 -43.03 17.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.314 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.09 178.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 121.141 0.496 . . . . 0.0 109.762 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.74 145.3 48.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.979 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG22 HG21 ' A' ' 67' ' ' VAL . 10.9 pt -80.09 131.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 0.0 111.637 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -89.7 106.23 18.32 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.62 120.4 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.166 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.634 ' OH ' ' HA ' ' A' ' 27' ' ' ARG . 96.3 m-85 -106.67 115.38 30.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.567 0.698 . . . . 0.0 110.844 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.4 102.45 8.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.379 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 9.3 m -108.22 117.37 33.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.431 . . . . 0.0 111.501 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -101.58 108.13 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.47 174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG22 HD23 ' A' ' 40' ' ' LEU . 55.1 t -107.5 109.34 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -89.45 95.19 10.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.252 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . . . -83.18 153.43 24.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.348 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -52.81 -67.04 0.28 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.241 0.543 . . . . 0.0 111.286 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -124.51 10.86 8.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.668 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.69 14.84 58.88 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.023 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 t60 73.74 152.2 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.109 0.535 . . . . 0.0 110.883 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.43 103.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 109.449 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 62.2 mmm -89.8 106.22 18.32 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.591 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' THR . 11.9 p80 -114.27 125.29 53.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.432 ' HA ' ' CB ' ' A' ' 81' ' ' MET . 25.6 p90 -143.44 171.58 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.049 -173.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' HB2' ' A' ' 81' ' ' MET . 5.1 m-20 -103.73 115.48 30.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.366 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 92.2 t -91.83 111.96 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -96.13 118.8 33.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -151.27 174.28 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -96.84 -30.29 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.511 . . . . 0.0 110.237 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.85 122.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.634 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 12.5 ptt85 -101.8 62.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.601 0.715 . . . . 0.0 110.075 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 31' ' ' LYS . 14.5 t70 -123.97 131.89 53.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 t70 -50.31 -64.54 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.816 0.697 . . . . 0.0 112.227 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.84 -34.94 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.798 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 21.2 tptm -60.73 -44.41 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.035 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.33 95.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.095 0.474 . . . . 0.0 111.006 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' A' ' 55' ' ' CYS . 60.5 mt -64.25 -37.55 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' OE1' ' HD2' ' A' ' 37' ' ' LYS . 1.5 tp10 -65.1 -35.17 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -62.01 -42.31 99.02 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 110.436 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.99 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 33' ' ' ILE . 85.6 mttt -64.41 -33.73 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 75.3 mt-30 -58.71 -40.95 85.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -69.36 -44.62 71.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.004 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD23 HG22 ' A' ' 10' ' ' VAL . 95.4 mt -61.16 -39.79 91.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.236 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -65.71 -32.59 74.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.181 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -74.21 -27.42 60.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.272 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.0 pt -98.02 -0.36 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 111.073 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.11 -21.62 39.04 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.541 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' OE1' ' HB3' ' A' ' 12' ' ' ALA . 47.4 mm-40 -82.14 28.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -172.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -81.41 73.87 8.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.7 15.09 1.4 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.856 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.53 152.23 27.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -82.29 92.16 6.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.07 104.13 15.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 110.271 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 -161.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -64.03 -21.19 66.41 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 28.7 tt0 -85.03 -17.44 37.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.316 0.579 . . . . 0.0 110.199 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -94.89 -45.53 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.624 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.523 ' HB3' HG12 ' A' ' 33' ' ' ILE . 41.9 t -101.73 104.55 15.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.693 176.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 1.3 mpp_? -109.78 146.11 35.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.56 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -72.22 111.16 7.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 t -75.13 -63.3 1.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.039 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -179.53 177.33 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.232 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -95.61 135.71 36.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.49 158.55 44.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.001 0.429 . . . . 0.0 111.054 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -60.03 130.98 49.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.862 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 3' ' ' ILE . . . -92.89 116.98 67.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.938 -173.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' HG22 ' A' ' 67' ' ' VAL . 10.0 Cg_exo -72.33 148.23 48.7 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.884 2.389 . . . . 0.0 111.367 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -57.4 -28.09 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.411 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.76 -39.02 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.696 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.526 HG21 HG22 ' A' ' 3' ' ' ILE . 12.6 m -97.44 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.531 -171.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.38 -52.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.98 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -18.43 58.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.47 -50.43 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.14 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.27 -24.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.434 0.635 . . . . 0.0 110.135 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.39 -25.65 62.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -92.58 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.069 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -99.03 -36.83 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.588 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.17 0.67 54.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.94 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -155.32 116.43 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -108.61 116.46 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.248 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.27 109.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.122 0.486 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -94.03 123.1 37.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -75.82 93.18 3.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.039 0.447 . . . . 0.0 110.401 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.502 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 41.8 ttm -53.92 -71.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.376 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -137.99 6.4 2.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.28 87.92 0.85 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.219 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -143.27 33.85 1.33 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.304 0.573 . . . . 0.0 109.512 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' C ' HD21 ' A' ' 85' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.211 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttp . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.826 0.346 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -103.4 131.66 50.3 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.576 HG21 HG23 ' A' ' 67' ' ' VAL . 18.4 pt -81.77 127.5 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.448 0.642 . . . . 0.0 111.83 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' HE1' ' HB3' ' A' ' 27' ' ' ARG . 9.9 m170 -90.31 118.75 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.828 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -90.78 106.39 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 57' ' ' PHE . 88.0 m-85 -105.28 95.58 5.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.05 175.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.61 107.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 16.7 m -106.08 119.76 40.04 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.072 -174.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.648 ' HD1' ' HD2' ' A' ' 19' ' ' HIS . 24.1 m-85 -112.36 80.11 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.234 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.0 t -78.25 118.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.03 0.443 . . . . 0.0 110.04 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -92.67 92.22 7.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.337 -176.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.1 130.42 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.22 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.302 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -106.89 54.87 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.544 0.688 . . . . 0.0 110.006 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.68 -98.57 0.2 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.602 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -170.42 169.5 7.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.11 103.98 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.532 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 79.7 mtp -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.171 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.648 ' HD2' ' HD1' ' A' ' 9' ' ' TYR . 39.1 m80 -90.55 102.78 15.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.228 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -149.65 158.05 43.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.4 128.6 47.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -97.48 102.65 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.999 0.428 . . . . 0.0 109.855 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 92.8 m-85 -87.51 116.33 25.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.007 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 p -136.11 160.5 38.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.574 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.8 -25.79 22.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.362 0.601 . . . . 0.0 109.565 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 28' ' ' ASP . 24.1 t -64.17 126.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.142 -176.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' HE1' ' A' ' 4' ' ' HIS . 33.8 ptt180 -96.87 21.03 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.954 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.578 ' H ' HG13 ' A' ' 26' ' ' VAL . 13.8 t70 -106.93 126.64 52.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.771 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.82 -30.95 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.832 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 21.7 tptm -76.03 -49.87 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.707 0.289 . . . . 0.0 110.702 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.64 -33.78 75.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.268 -174.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.46 94.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.359 173.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.535 HG12 ' SG ' ' A' ' 55' ' ' CYS . 74.5 mt -65.35 -39.69 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 53.6 mt-10 -56.15 -47.54 78.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.752 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.98 -34.86 79.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.729 0.299 . . . . 0.0 111.033 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.34 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 0.0 110.341 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 53.3 mtpt -71.37 -27.24 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 16.3 mm100 -59.13 -42.89 91.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 109.936 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -72.04 -41.45 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.93 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -68.67 -24.07 64.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.3 m -76.77 -34.68 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.155 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.55 14.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.46 . . . . 0.0 110.959 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.04 18.62 77.91 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.289 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -92.02 -10.08 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.515 -0.403 . . . . 0.0 110.229 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 65.4 -160.83 0.27 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.586 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.28 77.5 1.71 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.073 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.49 164.4 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m -65.88 96.24 0.29 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.78 110.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -131.26 -162.79 1.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -58.77 -16.61 17.69 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.799 0.839 . . . . 0.0 113.029 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -82.1 -30.18 31.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 8' ' ' THR . 7.1 mp0 -83.33 -51.9 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.158 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.535 ' SG ' HG12 ' A' ' 33' ' ' ILE . 12.0 p -101.42 99.09 9.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.296 0.569 . . . . 0.0 110.182 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -95.89 121.21 37.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.945 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 80.8 t80 -75.59 99.41 4.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 83.0 m -86.2 -45.88 10.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -167.68 -178.3 3.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.449 0.642 . . . . 0.0 112.032 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.4 m -129.09 145.55 51.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.649 -1.16 . . . . 0.0 107.971 170.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.75 -176.51 4.91 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.269 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 84.9 tttt -60.78 125.66 24.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.054 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.13 113.46 57.33 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.409 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.538 ' O ' HG12 ' A' ' 68' ' ' ILE . 16.3 Cg_exo -68.97 155.72 67.6 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.835 2.357 . . . . 0.0 111.333 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.93 -32.68 69.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.131 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.11 -52.31 61.42 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.654 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.576 HG23 HG21 ' A' ' 3' ' ' ILE . 17.5 m -74.64 -25.56 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.556 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 64' ' ' PRO . 48.7 mm -61.22 -47.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.24 -50.32 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.747 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -49.88 75.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.834 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.66 -19.76 20.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 0.0 110.923 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -82.39 -27.6 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.851 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -106.18 -34.83 7.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.119 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -103.88 -26.88 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.948 0.404 . . . . 0.0 111.093 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.81 -11.88 70.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.663 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -148.56 158.11 43.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 52.9 t80 -140.6 114.01 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.471 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.22 110.24 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -98.78 114.22 26.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.13 101.04 2.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.625 0.726 . . . . 0.0 110.058 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.79 -44.98 79.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.847 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 19' ' ' HIS . 26.3 tt0 -135.75 -57.07 0.78 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.031 -173.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.21 142.56 33.09 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.16 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.9 m -78.92 -5.37 53.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.406 -0.807 . . . . 0.0 108.864 177.117 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' A' ' 25' ' ' ASP . 28.2 ttt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -78.33 110.09 13.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' SER . 7.8 pt -78.26 106.47 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.487 0.661 . . . . 0.0 110.256 173.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 7.0 m-70 -75.56 102.27 5.21 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.511 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.03 99.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.632 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 74.9 m-85 -96.28 101.17 12.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 0.0 110.492 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.95 107.41 7.01 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.019 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -105.46 128.87 53.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.04 0.448 . . . . 0.0 111.88 -169.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -102.55 90.16 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.233 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 60.6 t -93.19 104.23 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.131 0.491 . . . . 0.0 110.409 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.67 104.17 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.454 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.57 176.43 8.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.134 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -65.17 -59.94 3.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.939 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -143.23 -6.09 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.18 35.72 3.26 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.237 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.2 t60 74.13 150.14 0.11 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.839 0.456 . . . . 0.0 110.825 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.18 107.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.527 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 91.6 mmm -67.12 103.01 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.907 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' O ' ' HB3' ' A' ' 81' ' ' MET . 10.5 t-160 -103.8 103.56 13.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.734 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 49.9 p90 -142.05 161.99 36.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.473 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -113.44 141.19 47.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.331 0.586 . . . . 0.0 110.685 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG23 HG13 ' A' ' 78' ' ' ILE . 34.4 t -108.28 117.05 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.617 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 89.9 m-85 -81.85 111.82 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.183 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -133.23 156.31 47.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.427 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 7.8 p-10 -99.13 -4.11 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.408 0.623 . . . . 0.0 109.612 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 ' H ' ' A' ' 28' ' ' ASP . 22.3 t -72.46 144.62 12.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.569 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 19.5 ptt-85 -98.97 16.8 21.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.303 0.573 . . . . 0.0 110.645 -176.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 5.8 m-20 -119.58 123.47 44.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.594 -172.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.9 m-20 -66.45 -44.37 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.201 0.524 . . . . 0.0 109.804 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' ' 33' ' ' ILE . 27.4 tptp -64.93 -34.17 77.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.466 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 56.2 tptt -74.59 -38.36 62.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.905 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.59 90.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 29' ' ' ASP . 91.0 mt -53.36 -47.1 58.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.138 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -41.17 87.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 26' ' ' VAL . 60.0 m-85 -67.52 -41.46 84.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.627 0.251 . . . . 0.0 110.904 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.35 97.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.548 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 52.4 mtpt -68.7 -29.78 68.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.9 -41.26 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.033 0.444 . . . . 0.0 110.263 174.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -68.5 -47.71 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.835 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 45' ' ' GLU . 96.3 mt -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.69 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -60.11 -28.89 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 0.0 111.33 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 m -77.91 -40.34 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.8 pt -78.45 -20.95 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.96 -22.22 2.12 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.163 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 40' ' ' LEU . 23.3 mm-40 -86.85 64.87 8.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.531 0.681 . . . . 0.0 110.914 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.35 16.43 3.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.201 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.44 77.45 0.19 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.86 151.81 50.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.901 0.381 . . . . 0.0 110.525 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -89.05 98.53 11.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.029 0.442 . . . . 0.0 111.051 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.31 99.5 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.645 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -105.93 -168.6 1.46 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.729 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.516 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 11.6 t -69.28 -2.46 10.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.221 0.534 . . . . 0.0 110.088 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -89.84 -35.04 15.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.157 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -80.94 -29.72 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.214 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 26.3 p -92.07 102.75 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.194 0.521 . . . . 0.0 110.438 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -97.84 108.31 20.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.609 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -69.72 103.8 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 89.8 m -80.38 -53.75 6.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.747 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -170.92 179.58 3.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.424 0.631 . . . . 0.0 111.687 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 49.9 m -140.07 112.35 7.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.563 171.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -124.29 -167.76 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.886 -173.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -61.44 117.23 5.42 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.255 0.55 . . . . 0.0 110.926 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.23 126.37 83.51 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.534 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.65 141.23 45.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.306 2.004 . . . . 0.0 111.161 172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.04 -21.31 61.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.653 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.35 -53.15 61.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.01 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -75.58 -22.09 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.425 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.77 -45.91 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.991 0.424 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.34 -42.21 88.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.475 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.55 79.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.27 -27.61 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -71.56 -31.17 66.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.45 -46.78 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.722 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -95.59 -28.06 15.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.67 74.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.328 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -160.47 163.26 33.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.492 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 72.9 t80 -146.72 106.62 3.98 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.299 175.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.521 HG13 HG23 ' A' ' 22' ' ' VAL . 2.2 mp -85.79 117.87 31.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 66.8 t80 -93.97 120.69 34.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.787 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 84' ' ' CYS . 93.6 mttt -72.58 96.91 2.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 48.7 ttm -79.48 -81.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -127.53 152.05 48.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.718 0.294 . . . . 0.0 110.737 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.5 51.71 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.986 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 80' ' ' LYS . 36.3 m -109.36 112.47 24.62 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.943 179.438 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HE2' HD11 ' A' ' 68' ' ' ILE . 66.0 ttp . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.709 0.29 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -109.09 115.59 30.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 pt -79.6 128.12 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.209 0.528 . . . . 0.0 110.994 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -92.1 114.75 27.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.16 112.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 69.4 m-85 -110.67 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.368 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -92.4 102.46 14.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -98.27 123.51 42.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.054 0.454 . . . . 0.0 111.36 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -91.31 86.05 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.702 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.25 102.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.988 0.423 . . . . 0.0 109.913 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 5.8 mptt -78.48 93.3 4.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.4 150.4 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.989 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 10.5 ptmm? -65.06 -7.65 12.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.678 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.13 -33.61 76.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.233 0.54 . . . . 0.0 110.213 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.28 -41.36 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.374 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -82.86 148.78 27.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 11' ' ' LYS . 21.3 t -83.22 110.6 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.575 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttp -80.2 119.67 23.28 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.219 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 36.4 m80 -109.65 126.88 54.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.14 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -146.73 146.84 30.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.572 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 18.5 m-20 -84.55 115.77 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 43.2 t -91.75 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.611 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 65.0 m-85 -84.62 114.97 22.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.072 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 p -120.25 151.36 39.27 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.978 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' HG3' ' A' ' 1' ' ' MET . 2.5 t70 -90.61 -42.57 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.315 175.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.81 138.74 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.751 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -88.29 36.44 0.78 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.075 0.464 . . . . 0.0 110.916 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.86 133.53 54.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.329 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.8 -29.46 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 34.1 ttpt -78.05 -43.97 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 110.204 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -61.74 -31.74 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.963 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . . . -66.77 -34.33 77.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.546 176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 51' ' ' THR . 67.6 mt -63.29 -45.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.346 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -55.75 -41.35 73.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 176.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 22.6 m-85 -58.85 -46.77 86.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.761 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.59 -42.08 95.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.983 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 8.9 mtpm? -65.63 -36.13 82.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.242 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 48.9 mt-30 -62.38 -42.07 99.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.65 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -68.08 -38.93 82.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 68.3 mt -60.3 -40.42 90.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.636 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 m -63.36 -34.58 78.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.613 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 m -66.68 -47.29 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -79.7 -24.95 12.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.698 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.84 38.85 3.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.221 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' OE1' ' HG2' ' A' ' 13' ' ' LYS . 13.1 tp10 -128.5 30.32 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.591 0.71 . . . . 0.0 109.633 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.85 83.86 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.698 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.34 -46.11 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.92 119.69 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.994 -0.603 . . . . 0.0 110.579 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 m -75.24 94.29 2.96 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.29 120.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.03 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' HD12 ' A' ' 33' ' ' ILE . 11.9 t -145.02 -168.8 3.03 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.778 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -51.3 -41.19 60.32 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.929 0.891 . . . . 0.0 112.685 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 111.048 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.06 -48.26 9.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.011 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 6.9 t -93.85 92.63 7.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.15 125.54 35.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.907 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -72.19 126.02 28.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.461 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.6 m -100.01 -73.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.89 176.76 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.653 0.74 . . . . 0.0 111.93 -173.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -123.39 107.23 11.39 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' OE2' ' HG2' ' A' ' 62' ' ' LYS . 10.7 tp10 -117.95 163.36 16.69 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.902 0.382 . . . . 0.0 111.11 -164.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' HG2' ' OE2' ' A' ' 61' ' ' GLU . 17.5 pttm -59.38 132.23 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.74 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.54 120.06 70.23 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.572 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.75 146.86 96.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.026 2.484 . . . . 0.0 111.549 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.3 -38.84 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.995 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.75 -48.9 77.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 m -70.86 -17.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' HE2' ' A' ' 1' ' ' MET . 42.0 mm -53.44 -60.35 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.463 0.649 . . . . 0.0 110.603 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 38.0 mt-10 -71.15 -35.85 71.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.812 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.57 93.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.251 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -37.09 78.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.804 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -61.94 -34.71 76.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.834 0.349 . . . . 0.0 111.783 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 30.6 mm-40 -73.92 -40.5 63.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.062 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -109.99 -24.54 10.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 -9.14 56.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -158.94 168.84 25.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.469 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.611 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 91.1 t80 -136.57 124.05 22.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.564 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.6 mm -96.22 107.41 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.981 0.42 . . . . 0.0 110.635 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.6 t80 -105.82 117.92 35.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.506 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -76.12 92.2 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 111.001 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.415 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 26.8 ttm -63.87 -50.78 67.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.21 175.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 19' ' ' HIS . 52.8 tt0 -151.21 78.38 1.28 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.747 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.65 36.56 0.47 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.428 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.8 t -110.28 -2.04 16.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.546 0.689 . . . . 0.0 109.364 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.567 -179.339 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' HD11 ' A' ' 68' ' ' ILE . 27.9 ttt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.47 123.85 36.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.2 pt -78.59 122.24 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.473 0.654 . . . . 0.0 111.224 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.466 ' CE1' ' HG2' ' A' ' 27' ' ' ARG . 12.6 m170 -89.74 128.36 36.1 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.773 172.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 23' ' ' PHE . 52.3 t -94.29 103.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.335 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -97.57 102.22 13.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.227 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' CG ' ' HE2' ' A' ' 19' ' ' HIS . 10.9 t70 -69.82 112.76 6.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.073 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -112.27 116.48 30.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.073 0.463 . . . . 0.0 111.838 -173.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -96.37 109.12 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.954 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -107.92 109.54 28.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 110.108 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -87.36 80.88 8.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.885 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 16' ' ' HIS . . . -84.2 108.9 17.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.842 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.63 -31.46 46.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 0.0 110.299 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.89 -103.64 0.18 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.421 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' O ' ' HB1' ' A' ' 12' ' ' ALA . 1.5 p-80 -164.01 151.35 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.894 -0.18 . . . . 0.0 110.768 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.4 104.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.705 ' SD ' ' HG3' ' A' ' 45' ' ' GLU . 69.6 mtp -85.78 131.75 34.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 -175.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.673 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 26.8 t-80 -125.15 99.54 6.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.391 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.96 147.46 52.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' HE1' ' A' ' 81' ' ' MET . 26.7 m-20 -96.19 120.13 35.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 110.994 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -88.05 110.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.014 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.527 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 23.0 m-85 -94.29 118.75 32.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.19 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.495 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.0 t -151.49 157.69 42.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.29 174.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -83.12 -19.22 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG13 ' H ' ' A' ' 28' ' ' ASP . 64.1 t -57.87 126.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.422 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 67.6 mtm-85 -98.06 23.38 8.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.986 -172.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.3 t70 -112.43 139.71 47.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.388 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' ILE . 7.9 p-10 -76.21 -47.11 25.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 33' ' ' ILE . 64.6 pttt -73.95 -26.12 60.32 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.614 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 4.6 mmtm -65.77 -43.78 87.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.219 173.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.072 0.463 . . . . 0.0 110.133 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 30' ' ' LYS . 83.1 mt -58.27 -48.45 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.441 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 48.9 mt-10 -56.54 -45.45 81.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.642 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' A' ' 76' ' ' TYR . 22.0 m-85 -56.17 -44.43 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.153 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -67.94 -42.67 80.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.971 0.415 . . . . 0.0 110.875 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -62.02 -36.81 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.376 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 19.0 mm-40 -59.25 -35.95 74.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -82.64 -42.83 17.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.847 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 95.6 mt -58.4 -45.57 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.724 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -69.14 -25.23 64.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.695 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 p -88.71 -28.71 20.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.416 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -80.76 -32.15 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.941 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.13 3.5 27.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.749 174.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.705 ' HG3' ' SD ' ' A' ' 18' ' ' MET . 22.1 mm-40 -78.94 58.39 2.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.624 0.726 . . . . 0.0 109.889 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.13 159.8 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.819 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.43 -16.46 9.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.18 142.39 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.976 0.417 . . . . 0.0 111.199 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 125.78 49.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.371 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG12 HG21 ' A' ' 33' ' ' ILE . 48.4 t -108.77 107.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 0.0 111.691 -173.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 p -111.42 -164.64 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -76.63 -3.99 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.469 . . . . 0.0 110.353 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -85.36 -29.76 24.2 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.09 -49.89 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.228 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 t -101.75 109.94 21.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -118.76 132.24 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.605 -173.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -72.8 113.72 10.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' HG ' ' HB2' ' A' ' 7' ' ' ASP . 96.0 m -105.48 -62.79 1.31 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.4 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -143.35 179.98 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.296 0.57 . . . . 0.0 111.55 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 m -139.38 160.13 40.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.4 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.43 176.9 11.55 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.477 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -57.5 141.15 48.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.34 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . . . -113.56 108.41 51.94 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.499 -176.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' O ' HG12 ' A' ' 68' ' ' ILE . 28.9 Cg_endo -64.67 150.52 88.06 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.388 2.059 . . . . 0.0 111.362 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.08 -25.94 61.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.576 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -82.28 -23.63 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.36 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 HD11 ' SD ' ' A' ' 1' ' ' MET . 34.9 mm -58.71 -52.86 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.257 176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.24 -31.95 71.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.657 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -46.67 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.107 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 24' ' ' THR . 62.0 mt -71.02 -38.04 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.366 0.603 . . . . 0.0 110.06 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -60.35 -33.53 72.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.922 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -88.06 -53.57 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -97.51 -17.3 19.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -171.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.24 -20.74 46.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.595 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.414 ' CG ' ' HB3' ' A' ' 35' ' ' PHE . 42.1 p90 -154.26 147.88 25.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.527 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 69.5 t80 -115.5 113.89 24.27 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -85.91 98.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.242 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -84.33 98.75 10.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -70.4 100.29 1.73 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.83 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.403 ' HE1' ' OD1' ' A' ' 21' ' ' ASP . 13.2 mtm -92.42 -61.97 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 111.977 -174.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.673 ' HB3' ' HB3' ' A' ' 19' ' ' HIS . 4.3 tp10 -112.23 134.35 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.895 -173.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.8 8.9 50.79 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.897 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.4 t -179.86 127.66 0.08 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.593 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.2 t30 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.404 -0.807 . . . . 0.0 109.496 173.599 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -101.81 159.47 15.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.459 HG23 ' HB1' ' A' ' 63' ' ' ALA . 5.3 pt -138.71 136.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.762 175.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 24' ' ' THR . 15.7 m170 -83.71 117.69 23.39 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -93.27 111.09 24.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.062 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 85.5 m-85 -108.81 99.72 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.95 88.87 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.748 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 28.1 m -83.87 118.25 23.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -170.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.87 107.66 19.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.248 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.6 t -107.5 115.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.166 0.508 . . . . 0.0 110.14 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.66 102.2 12.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.331 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.7 158.8 33.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.152 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -68.91 -29.1 67.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.955 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.39 -27.49 64.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.28 61.48 0.53 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.841 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -148.56 141.35 24.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.7 t -93.68 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.347 0.594 . . . . 0.0 110.215 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.452 ' HE1' ' HG ' ' A' ' 84' ' ' CYS . 78.0 mtp -80.64 90.37 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.861 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.748 ' HA ' ' O ' ' A' ' 8' ' ' THR . 12.4 p80 -105.63 130.06 53.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 110.133 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.4 166.92 23.43 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.079 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 13.0 m-20 -95.96 107.96 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 110.492 -175.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.6 t -84.91 98.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 68.9 m-85 -84.16 107.44 16.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.407 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 9.5 t -151.49 146.79 26.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -113.66 8.7 17.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.424 0.63 . . . . 0.0 109.962 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.45 111.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -76.04 76.57 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.679 -175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD2' ' HG2' ' A' ' 31' ' ' LYS . 51.9 t0 -149.56 114.1 5.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.96 -35.32 68.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.703 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 13.7 pttp -87.54 -13.69 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.102 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 25.6 mmtm -67.01 -36.78 82.91 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.62 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.004 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.16 -48.27 55.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.717 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 45.3 mt-10 -62.72 -40.55 97.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.53 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.94 -38.42 86.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.308 . . . . 0.0 110.778 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HE2' ' HB ' ' A' ' 50' ' ' VAL . 70.0 mmtt -57.45 -37.31 72.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.73 -49.99 75.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.973 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.19 -39.11 89.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 89.7 mt -62.23 -41.15 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.53 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 48.8 m -64.1 -31.04 72.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 0.0 110.642 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -69.42 -45.59 68.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.765 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 pt -78.52 -23.44 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.575 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.51 -22.12 5.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.726 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 25.0 mm-40 -84.01 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 111.074 -177.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 9.1 pt-20 -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.94 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.01 27.87 17.14 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.622 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -77.11 141.12 40.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 11.0 m -67.33 105.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.475 ' HB ' ' HE2' ' A' ' 37' ' ' LYS . 40.1 t -130.03 96.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.478 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.2 p -109.86 -167.0 1.14 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -68.42 -9.44 48.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.62 -32.5 18.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 49' ' ' THR . 4.9 mp0 -80.74 -46.82 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.3 t -101.19 90.31 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -106.89 154.27 21.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.24 0.543 . . . . 0.0 111.625 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -79.01 105.82 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.405 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.73 -59.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.825 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.33 179.59 0.78 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 23.8 m -118.97 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.619 172.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -134.4 -175.53 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -77.99 135.05 37.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.057 0.456 . . . . 0.0 110.866 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' A' ' 3' ' ' ILE . . . -86.06 118.44 70.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.411 -173.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.72 149.38 78.79 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.422 2.082 . . . . 0.0 110.599 170.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' HA ' HG12 ' A' ' 68' ' ' ILE . 3.6 m-20 -64.23 -11.46 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.53 -37.08 82.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.7 m -95.86 -10.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 65' ' ' ASP . 44.9 mm -59.97 -56.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.614 0.245 . . . . 0.0 110.704 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.22 -43.53 67.32 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.59 -50.81 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.902 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.478 ' O ' ' HA2' ' A' ' 75' ' ' GLY . 63.1 mt -71.24 -32.87 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.097 0.475 . . . . 0.0 111.04 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 35.4 ttpt -72.47 -40.68 66.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.157 0.503 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -86.02 -60.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.627 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.36 -28.7 19.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.46 -6.43 57.6 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.257 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -155.82 153.55 29.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.823 0.344 . . . . 0.0 111.02 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 84.0 t80 -138.75 112.23 8.19 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.63 112.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 110.238 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.517 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 81.3 t80 -96.12 117.32 30.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 173.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -73.16 82.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.88 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.1 ttm -59.93 -75.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.197 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.52 -6.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.03 81.37 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.028 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.452 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 16.8 m -107.32 -98.45 0.36 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.264 -0.874 . . . . 0.0 109.002 177.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -113.45 111.67 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.362 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 23' ' ' PHE . 4.4 pt -83.26 128.48 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.201 0.524 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -90.23 107.41 19.12 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -87.04 112.32 22.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.149 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 52.3 m-85 -93.17 113.0 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.422 0.629 . . . . 0.0 110.841 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.685 ' HB2' ' HB2' ' A' ' 58' ' ' CYS . 22.6 t70 -74.38 96.09 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.5 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 m -107.23 123.69 48.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.134 0.493 . . . . 0.0 112.15 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -105.7 115.51 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.473 171.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.51 111.48 35.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.989 0.423 . . . . 0.0 110.076 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -82.67 80.89 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.302 -176.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 127.06 33.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.834 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.1 -31.69 72.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.562 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -114.41 -21.62 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -96.1 8.22 67.37 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.281 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 18.0 t60 71.63 156.0 0.16 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.92 0.36 . . . . 0.0 110.038 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t -65.98 100.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.424 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 71.1 mtm -84.53 128.26 34.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.337 -173.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -113.32 127.68 56.22 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.665 ' HA ' ' HG3' ' A' ' 81' ' ' MET . 38.8 p90 -153.5 160.91 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.672 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 40.6 m-20 -95.86 117.92 31.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.9 t -94.54 102.8 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.586 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 72.7 m-85 -92.8 114.99 27.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.348 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -142.39 154.57 44.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.958 0.408 . . . . 0.0 110.649 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.58 -13.2 40.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.87 109.21 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.458 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -86.06 85.58 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 13.9 t70 -136.54 128.34 29.13 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.79 -38.92 76.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.922 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -83.99 -40.21 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.612 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 68.5 mmtt -65.67 -35.75 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.18 77.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 0.0 110.36 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.745 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 8.8 tp10 -55.56 -50.03 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.731 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -41.17 97.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.88 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -77.0 -23.56 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.689 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 22.5 mt-30 -62.5 -40.94 98.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -66.74 -44.07 82.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.074 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.75 -41.01 81.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.173 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -70.9 -24.62 62.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.99 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 m -81.17 -29.02 34.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.099 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.5 pt -94.17 0.1 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 24.05 66.27 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.152 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.19 -75.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 60.35 15.33 5.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 168.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.69 -42.18 0.89 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.63 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.17 116.18 8.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.065 0.459 . . . . 0.0 111.409 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.6 m -74.76 112.13 10.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.991 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.98 111.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.0 p -105.21 -169.06 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -72.31 -11.31 60.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.331 0.586 . . . . 0.0 110.224 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -82.86 -34.05 26.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HG3' ' HE3' ' A' ' 11' ' ' LYS . 7.6 mp0 -77.84 -46.26 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.9 t -93.99 91.58 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 29.8 mtp180 -88.33 168.06 13.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.805 -175.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -100.65 112.18 24.53 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 24.5 t -79.95 -66.02 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.199 -176.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -174.12 -178.76 1.53 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.694 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 m -130.11 130.84 45.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.376 175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -144.87 170.8 15.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.886 0.374 . . . . 0.0 111.111 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -70.66 124.32 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.791 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.77 135.66 55.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.447 -172.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' ILE . 60.1 Cg_endo -75.33 149.38 35.32 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.553 2.169 . . . . 0.0 111.151 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 24.3 t70 -55.2 -27.29 44.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.868 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.39 -40.88 62.63 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.79 -11.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.506 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 46.5 mm -61.79 -49.1 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.089 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.7 -28.39 68.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.728 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.49 -54.65 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.213 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.57 -33.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.197 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -74.51 -12.99 60.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.052 0.453 . . . . 0.0 110.647 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -97.58 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -88.49 -46.32 9.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.438 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.18 -6.88 8.7 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.111 -1.042 . . . . 0.0 113.431 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -151.56 126.18 9.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.307 0.554 . . . . 0.0 111.225 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 65.2 t80 -108.09 115.18 29.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.74 111.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.124 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.8 t80 -103.04 107.38 18.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -72.38 100.5 2.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.665 ' HG3' ' HA ' ' A' ' 20' ' ' PHE . 67.0 mtp -69.24 -66.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.447 0.642 . . . . 0.0 109.652 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -161.29 118.95 2.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.42 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.424 ' HA3' ' HG2' ' A' ' 18' ' ' MET . . . -155.34 -46.47 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.732 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.16 82.35 8.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.005 0.431 . . . . 0.0 110.277 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 177.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' CE ' ' HB2' ' A' ' 25' ' ' ASP . 3.0 ppp? . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -108.26 121.1 44.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.4 pt -82.54 104.08 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.241 0.543 . . . . 0.0 111.435 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -72.61 107.25 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.519 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 20.0 t -85.04 120.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 123.365 0.416 . . . . 0.0 110.271 -175.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 96.9 m-85 -113.7 106.52 14.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.625 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 56' ' ' ARG . 4.9 m-20 -71.89 90.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 21.6 m -94.34 115.68 27.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -100.8 98.36 8.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.803 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 40' ' ' LEU . 41.5 t -99.57 113.86 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.0 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpm? -85.6 124.78 32.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.557 -177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 173.16 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -69.64 -47.41 63.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.457 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -143.35 7.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.57 -110.93 2.32 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.399 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -135.01 -172.47 3.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.624 0.249 . . . . 0.0 110.6 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.46 113.12 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.143 0.497 . . . . 0.0 110.512 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.05 100.73 11.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.961 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.1 p80 -111.49 116.3 30.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.064 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -132.31 156.8 45.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.452 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 6.4 m-20 -84.82 112.79 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.1 t -96.31 113.83 31.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.965 175.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 79.2 m-85 -104.52 119.72 39.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -137.07 148.0 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.426 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 27.6 t70 -92.04 -30.9 15.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.17 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG13 ' HG3' ' A' ' 31' ' ' LYS . 47.3 t -61.04 124.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.155 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.4 80.81 5.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.881 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 15.8 t70 -160.89 134.02 6.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.26 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -76.87 -38.79 53.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.981 0.419 . . . . 0.0 110.414 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -64.25 -43.94 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.4 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG3' HG13 ' A' ' 26' ' ' VAL . 36.8 mmtm -57.05 -42.61 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.4 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.15 -43.13 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.61 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 3.5 tp10 -53.82 -52.99 58.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.425 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.8 -39.72 83.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.008 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.64 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.85 -33.14 74.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.895 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 25.5 mt-30 -60.08 -38.27 82.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 0.0 110.298 174.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -71.22 -45.84 62.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.252 0.549 . . . . 0.0 109.998 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 47' ' ' GLY . 49.5 mt -63.65 -32.0 73.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -77.53 -29.6 52.44 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.044 -0.41 . . . . 0.0 110.544 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.8 m -66.59 -38.37 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.81 -3.32 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.874 0.369 . . . . 0.0 111.096 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.4 38.7 10.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.471 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 2.0 tm-20 -116.2 -36.94 3.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.964 0.382 . . . . 0.0 110.077 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 46.0 mt-10 83.13 -23.23 0.21 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.15 0.98 . . . . 0.0 110.335 -172.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . 95.89 12.41 52.85 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.493 170.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.85 -151.81 0.3 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.837 0.351 . . . . 0.0 111.3 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.07 106.85 18.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.343 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' GLY . 78.5 t -122.7 109.46 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -164.09 0.91 Allowed 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 m -70.21 -5.64 28.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 0.0 110.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 -49.35 8.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.252 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -71.19 -36.62 72.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 14.3 t -92.27 97.61 10.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 96.4 mtt180 -87.63 113.69 23.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.699 -174.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -78.21 116.56 18.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.519 ' SG ' ' HB ' ' A' ' 5' ' ' VAL . 6.6 p -99.35 -57.92 2.05 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -162.61 179.27 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.0 111.752 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 m -134.0 120.88 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.003 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.04 168.09 17.26 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.417 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.04 114.14 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.657 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -70.42 144.72 92.14 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.751 -171.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 67' ' ' VAL . 24.2 Cg_exo -63.92 143.65 86.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.691 2.261 . . . . 0.0 110.715 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.96 -25.75 67.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.974 0.416 . . . . 0.0 111.479 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 64' ' ' PRO . 22.1 m -81.41 -12.78 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.25 -175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 63' ' ' ALA . 45.5 mm -60.88 -48.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -23.67 61.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.0 -51.64 15.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.094 0.474 . . . . 0.0 110.367 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.19 -26.67 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.152 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 34.6 ttpt -57.67 -39.86 78.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.406 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.912 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -91.04 -42.36 10.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.802 -173.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -85.11 -33.84 22.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.958 0.409 . . . . 0.0 111.322 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.59 -6.2 70.62 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -160.29 170.05 21.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.995 -0.602 . . . . 0.0 109.503 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.8 t80 -146.69 125.24 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.3 111.72 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 69.0 t80 -91.16 119.72 31.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.9 87.52 0.72 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.1 ttm -60.94 -64.86 0.81 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.44 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -171.63 163.74 6.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.709 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.56 19.67 77.96 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.5 m -124.11 176.39 6.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.95 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' HG12 ' A' ' 68' ' ' ILE . 54.8 ttp . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -91.22 133.46 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 63' ' ' ALA . 3.3 pt -109.21 126.82 66.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.408 0.623 . . . . 0.0 110.973 176.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -89.48 106.57 18.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.635 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.71 103.24 7.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.368 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -94.89 105.12 17.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.016 0.436 . . . . 0.0 110.886 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.788 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 48.7 t0 -71.3 103.7 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.216 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 11.9 m -103.51 102.32 12.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 48.1 m-85 -83.86 106.9 15.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 95.1 t -107.49 109.25 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.405 0.622 . . . . 0.0 109.754 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -78.6 101.06 7.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.041 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.18 144.3 55.62 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -63.43 -19.58 64.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 110.292 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -24.89 66.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.238 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.56 44.37 3.2 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -136.8 139.05 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.08 107.83 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.381 0.61 . . . . 0.0 110.806 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.471 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 65.9 mmm -84.18 101.45 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -101.16 102.51 13.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.62 0.724 . . . . 0.0 110.002 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.87 140.9 49.05 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -96.24 118.82 33.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.9 t -85.4 101.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.739 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 95.4 m-85 -84.07 115.64 22.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.786 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.5 p -132.07 145.51 51.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.175 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.9 -23.63 22.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.559 0.695 . . . . 0.0 109.48 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.3 143.44 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.869 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -99.69 36.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 111.21 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.96 120.3 41.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.454 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.94 -44.62 60.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.79 -173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -75.32 -27.13 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.573 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -57.93 -46.92 84.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.419 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.51 83.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.621 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' A' ' 55' ' ' CYS . 67.8 mt -63.85 -45.96 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.594 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.88 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.87 -40.59 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 110.437 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.49 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.601 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.65 -31.23 71.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.12 -36.92 82.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.24 0.543 . . . . 0.0 109.546 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -67.62 -40.84 84.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.868 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.97 -28.7 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.531 ' HA ' ' CG ' ' A' ' 46' ' ' GLU . 12.2 t -74.87 -36.94 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -80.44 -22.6 40.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.1 pt -87.32 -7.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.691 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.21 41.43 11.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.939 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.42 -78.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' CG ' ' HA ' ' A' ' 41' ' ' SER . 41.1 mt-10 60.0 28.45 17.98 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 172.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.0 -39.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.579 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.47 122.13 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.078 0.466 . . . . 0.0 111.66 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.3 m -77.41 110.63 12.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.54 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -114.37 120.95 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.686 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.1 p -132.67 -161.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.02 176.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -69.58 -11.27 60.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -44.2 16.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 36.1 mp0 -73.95 -46.99 40.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.923 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.7 t -100.72 109.53 21.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -117.31 167.73 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -100.64 120.6 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.084 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.788 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 63.1 m -79.91 -69.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.995 0.426 . . . . 0.0 110.181 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -174.01 -179.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.7 m -109.24 129.07 55.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.458 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.95 173.75 11.23 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.668 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -79.72 126.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.288 0.566 . . . . 0.0 110.113 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 3' ' ' ILE . . . -79.23 138.06 56.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.826 -170.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 Cg_exo -71.77 149.01 53.6 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.877 2.385 . . . . 0.0 110.664 168.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 68' ' ' ILE . 7.6 p-10 -57.12 -31.18 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.25 -39.33 94.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.3 m -82.43 -25.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.617 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 65' ' ' ASP . 95.8 mt -66.02 -52.0 53.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.985 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.48 -22.12 61.11 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.022 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.45 53.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.58 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 67' ' ' VAL . 82.6 mt -69.46 -38.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.37 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.62 -25.22 68.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.13 0.491 . . . . 0.0 110.732 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -84.77 -53.07 5.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.65 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -98.13 -20.44 17.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.32 -25.75 27.03 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.829 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -149.59 152.12 34.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 69.8 t80 -123.76 112.76 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.204 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.27 98.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.058 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 73.9 t80 -97.33 103.26 15.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.474 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 3.8 mppt? -67.44 102.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.447 ' HE3' ' HB3' ' A' ' 81' ' ' MET . 13.5 tmm? -94.31 -52.58 4.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -170.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -152.29 147.72 26.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.44 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.23 23.21 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.186 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 80' ' ' LYS . 62.3 m -81.76 178.68 8.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.33 . . . . 0.0 110.798 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.148 179.354 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -85.5 147.6 26.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.384 . . . . 0.0 111.107 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.666 ' O ' ' HA ' ' A' ' 60' ' ' SER . 12.4 pt -121.7 154.46 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -95.65 108.31 20.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 82.6 t -89.61 112.44 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.147 0.498 . . . . 0.0 110.975 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -103.28 101.13 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.013 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 56' ' ' ARG . 9.8 t0 -67.69 104.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.142 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.436 HG21 HG23 ' A' ' 10' ' ' VAL . 10.3 m -102.76 125.27 49.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 0.0 111.813 -172.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -103.74 85.24 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.582 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 75.1 t -92.02 89.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.686 0.755 . . . . 0.0 109.41 176.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 37.1 ttpt -83.04 112.32 19.68 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.103 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.85 57.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.28 -36.46 77.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.506 -170.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -134.16 41.58 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.661 0.743 . . . . 0.0 109.868 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.47 -106.01 0.71 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.139 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -147.23 163.79 35.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 48.7 t -76.55 110.19 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.582 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 74.3 mmm -71.68 88.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 7' ' ' ASP . 14.1 t-80 -97.24 114.65 26.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.001 0.429 . . . . 0.0 110.026 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.11 152.15 36.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.525 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -96.08 119.86 35.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.988 0.423 . . . . 0.0 110.424 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 HG12 HG22 ' A' ' 24' ' ' THR . 61.6 t -91.02 108.23 19.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.938 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.524 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 20.6 m-85 -90.52 117.03 28.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.729 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.406 HG22 HG12 ' A' ' 22' ' ' VAL . 22.6 p -131.43 163.04 28.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.9 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -107.19 -4.46 18.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.299 0.571 . . . . 0.0 109.856 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 28' ' ' ASP . 43.2 t -78.59 146.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.102 -175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -98.84 22.09 10.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.5 t70 -121.47 122.91 40.8 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' O ' HG13 ' A' ' 33' ' ' ILE . 3.4 m-20 -61.48 -47.48 85.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.578 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -66.95 -35.95 81.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.672 -175.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.43 -48.33 79.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 175.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.12 95.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 29' ' ' ASP . 78.6 mt -58.17 -49.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.277 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.51 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.393 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.44 -45.29 93.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.633 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.38 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.054 0.454 . . . . 0.0 110.172 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.552 ' HB3' ' HZ3' ' A' ' 37' ' ' LYS . 10.4 mtpm? -62.94 -43.56 98.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.68 -34.01 76.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.756 0.313 . . . . 0.0 110.794 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' O ' HG12 ' A' ' 43' ' ' ILE . 52.4 t90 -65.29 -42.9 92.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 43' ' ' ILE . 96.9 mt -64.29 -39.82 94.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.795 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.474 ' HG ' ' CD ' ' A' ' 46' ' ' GLU . 47.5 m -60.02 -44.21 94.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 111.388 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -73.85 -26.18 60.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.98 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' TRP . 23.2 pt -91.83 -30.17 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.476 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.84 12.19 28.56 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.64 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -99.81 31.22 3.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.634 0.254 . . . . 0.0 111.587 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.474 ' CD ' ' HG ' ' A' ' 41' ' ' SER . 23.1 mt-10 -77.24 -171.63 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.132 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.58 -31.27 8.75 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -174.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 124.78 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.502 HG21 HG23 ' A' ' 51' ' ' THR . 30.6 m -77.38 89.22 3.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.096 0.474 . . . . 0.0 110.876 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -80.68 103.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.382 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.502 HG23 HG21 ' A' ' 49' ' ' THR . 69.8 p -112.76 -174.27 2.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.79 177.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.55 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 p -70.89 1.12 5.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 111.09 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.51 -29.27 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.22 -26.35 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.566 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 28.9 p -105.03 111.76 24.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.338 0.59 . . . . 0.0 110.608 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 26.9 ttp180 -97.18 100.31 11.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -69.05 111.63 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.0 m -76.71 -67.38 0.71 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.1 p80 177.64 -164.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.41 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 11.5 t -112.35 123.62 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -125.03 175.96 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.04 122.69 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.899 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 3' ' ' ILE . . . -107.82 153.24 41.69 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.036 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.462 ' O ' HG12 ' A' ' 68' ' ' ILE . 6.7 Cg_exo -74.11 146.63 36.92 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.627 2.218 . . . . 0.0 110.96 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -21.36 61.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -55.26 -47.3 75.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.133 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 71' ' ' ILE . 30.6 m -88.62 -18.38 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.366 -175.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 64' ' ' PRO . 43.6 mm -60.04 -48.83 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.52 -34.2 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.78 82.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 67' ' ' VAL . 64.7 mt -67.55 -32.53 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.254 0.55 . . . . 0.0 110.354 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -72.27 -34.24 68.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -83.65 -56.42 3.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.562 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -81.54 -33.28 31.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.11 -13.25 40.74 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.71 159.51 24.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.322 -0.439 . . . . 0.0 109.986 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 64.3 t80 -126.8 126.06 42.75 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 172.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.69 102.41 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.983 0.421 . . . . 0.0 110.489 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -85.07 92.56 8.39 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.04 98.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 52.6 ttm -69.67 -64.78 0.81 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.41 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.881 0.848 . . . . 0.0 109.643 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.81 8.76 64.81 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.946 -176.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.7 m -95.09 -0.75 53.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 0.0 111.37 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.564 -178.712 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' HG23 ' A' ' 68' ' ' ILE . 25.7 ttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 12.3 pm0 -133.24 130.66 39.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.369 -171.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -93.42 121.88 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.284 0.564 . . . . 0.0 111.913 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.01 113.34 22.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.788 171.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.7 t -83.57 111.1 19.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -102.89 115.41 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.687 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.745 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.1 t70 -78.69 94.18 5.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 19.3 m -95.61 112.23 23.99 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.668 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -108.23 104.73 14.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.433 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -109.91 112.95 42.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.089 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -84.73 103.27 13.67 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.66 170.91 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.811 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -63.64 -26.06 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.106 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.51 -12.18 50.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.94 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.99 28.21 59.04 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -169.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -114.71 139.45 49.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.506 -0.847 . . . . 0.0 109.324 -176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 t -95.34 104.19 15.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.576 -175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.1 mmm -87.52 97.66 10.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.423 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.67 ' HA ' ' O ' ' A' ' 8' ' ' THR . 8.2 p80 -126.48 120.45 29.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.678 0.752 . . . . 0.0 111.264 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.14 164.02 32.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.922 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.53 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 9.7 m-20 -95.83 114.59 26.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.461 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG11 HG22 ' A' ' 24' ' ' THR . 48.7 t -91.82 105.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.004 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.666 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 44.8 m-85 -87.75 112.69 22.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.473 HG22 HG11 ' A' ' 22' ' ' VAL . 19.1 p -118.85 121.95 41.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.496 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 9.9 t70 -81.12 -29.71 34.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.412 0.625 . . . . 0.0 109.619 172.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.58 114.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.083 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 27' ' ' ARG . 13.5 ttp180 -79.89 88.48 5.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.646 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 10.1 t70 -161.48 135.5 6.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.822 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.52 -26.47 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.646 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 25.1 pttm -90.45 -31.16 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.127 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 27.7 mmmt -61.22 -42.91 99.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.48 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.686 HG12 ' SG ' ' A' ' 55' ' ' CYS . 88.6 mt -61.0 -48.7 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.742 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 25.3 mm-40 -65.08 -37.11 86.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.791 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -57.97 -43.73 86.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.622 0.248 . . . . 0.0 111.069 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.88 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 110.514 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.59 -33.82 76.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.342 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 28.9 mt-30 -58.22 -35.33 71.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -74.21 -37.92 63.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.243 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.62 -37.78 82.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.512 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 33.5 t -67.65 -39.47 84.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -70.03 -39.24 75.89 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.416 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.6 pt -75.94 -22.58 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.019 0.437 . . . . 0.0 110.636 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.64 -0.84 45.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.411 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -87.92 11.89 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.897 0.38 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 8.3 tp10 -60.58 148.03 39.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.385 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.01 -20.36 5.97 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.88 147.21 41.25 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -78.61 104.93 9.55 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.8 0.333 . . . . 0.0 110.734 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 33' ' ' ILE . 75.5 t -106.58 99.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -114.78 -173.04 2.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.763 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.41 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 8.9 m -66.21 -13.56 60.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 0.0 110.826 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.96 -25.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.29 -42.19 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.183 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.686 ' SG ' HG12 ' A' ' 33' ' ' ILE . 15.4 p -98.73 96.01 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.7 ptt180 -100.23 145.69 27.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.514 -178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -83.28 134.02 34.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.121 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.745 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.4 m -100.96 -70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -163.57 177.56 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.926 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -123.53 130.55 52.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.106 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -138.87 174.0 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.073 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -68.97 122.87 19.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.596 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB3' HD12 ' A' ' 68' ' ' ILE . . . -87.13 129.24 52.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.042 -177.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' O ' HG12 ' A' ' 68' ' ' ILE . 51.1 Cg_exo -54.96 142.87 75.04 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.481 2.121 . . . . 0.0 111.103 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.92 -21.79 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 111.293 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.51 -51.96 60.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.802 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' PRO . 16.9 m -71.65 -20.68 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.449 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 1' ' ' MET . 44.2 mm -58.95 -44.87 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.139 0.495 . . . . 0.0 110.105 175.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 37.1 tt0 -70.85 -33.26 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.67 78.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.04 -33.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.0 ttmm -50.71 -39.54 51.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.188 0.518 . . . . 0.0 111.023 174.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -87.81 -47.27 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.256 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -96.44 -29.48 13.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -171.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.82 -6.55 62.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -159.62 166.49 30.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.666 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 85.3 t80 -136.67 126.66 25.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.98 101.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.53 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 36.1 t80 -84.25 110.09 18.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -76.88 89.27 3.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 42.1 ttm -66.22 -59.08 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 19' ' ' HIS . 39.7 tt0 -164.3 124.11 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.041 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.44 -54.81 0.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.054 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m -60.23 -35.03 74.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.89 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.247 0.936 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.181 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.781 0.324 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -102.02 155.97 17.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.105 0.478 . . . . 0.0 111.235 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -96.07 124.54 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -89.61 122.51 32.81 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -94.6 110.38 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.88 0.738 . . . . 0.0 111.149 -172.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -108.9 98.28 7.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.16 105.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -96.58 116.8 29.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.583 ' HA ' ' O ' ' A' ' 18' ' ' MET . 83.6 m-85 -100.83 110.96 23.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.944 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 97.5 t -107.74 114.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.248 0.547 . . . . 0.0 110.062 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -75.95 84.19 2.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.972 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.6 95.72 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.13 -35.09 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.109 -0.951 . . . . 0.0 113.49 -174.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.02 -2.74 27.04 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.283 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.48 -90.76 1.49 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.97 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -164.7 147.7 8.72 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.52 107.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.583 ' O ' ' HA ' ' A' ' 9' ' ' TYR . 58.2 mtt -79.6 127.44 32.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' A' ' 81' ' ' MET . 16.3 t-160 -119.3 110.58 17.15 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 169.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -136.95 145.92 44.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -96.26 119.91 35.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 111.019 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.98 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.956 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 27.8 m-85 -91.57 123.56 35.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.111 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -151.39 155.39 38.55 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.628 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -11.74 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.509 178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.65 100.26 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.572 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -86.0 63.52 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.594 0.711 . . . . 0.0 111.02 -176.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 1.1 m-20 -112.96 122.05 46.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.298 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.53 -36.61 78.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.465 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.4 -41.48 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 63.6 mmtt -66.04 -38.22 87.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.258 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -49.65 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.155 0.502 . . . . 0.0 110.473 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.489 HG22 ' HE2' ' A' ' 37' ' ' LYS . 85.1 mt -64.82 -43.06 96.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.779 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.6 tt0 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.663 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.94 -38.85 92.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.64 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HE2' HG22 ' A' ' 33' ' ' ILE . 57.6 mtmt -70.97 -29.52 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.4 mm100 -64.86 -45.8 84.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.0 110.071 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -65.04 -45.01 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.386 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 43' ' ' ILE . 84.1 mt -58.5 -37.95 76.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 7.5 t -62.51 -44.56 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.184 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.8 m -65.72 -44.94 84.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.738 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 HD13 HD21 ' A' ' 40' ' ' LEU . 44.7 pt -74.49 -9.44 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.23 33.87 16.15 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.857 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -131.57 29.61 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.733 0.301 . . . . 0.0 111.03 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -66.02 121.52 15.3 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.148 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.86 -26.53 0.51 Allowed Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -174.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 131.58 46.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.208 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m -84.75 92.0 8.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.47 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 23.8 t -82.55 118.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -134.31 -170.18 2.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.236 -176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -67.87 -13.69 62.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -81.99 -34.15 29.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.254 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.515 ' HG3' ' HA ' ' A' ' 50' ' ' VAL . 8.2 mm-40 -82.62 -49.02 10.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.914 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.1 p -93.5 128.74 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.682 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -119.64 120.29 36.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.704 0.288 . . . . 0.0 110.814 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.3 106.42 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.0 m -90.67 -57.69 2.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.837 -176.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -159.31 179.9 8.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.369 0.604 . . . . 0.0 111.883 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 m -132.31 146.86 52.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.527 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.91 166.85 27.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.751 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 147.97 43.9 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 68' ' ' ILE . . . -117.96 131.36 24.19 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.262 -168.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' HG21 ' A' ' 67' ' ' VAL . 25.1 Cg_exo -63.16 139.67 73.76 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.537 2.158 . . . . 0.0 110.702 171.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.96 -26.9 67.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.992 0.425 . . . . 0.0 110.765 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.09 -46.16 85.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.604 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 71' ' ' ILE . 18.2 m -77.15 -27.66 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.191 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 63' ' ' ALA . 45.6 mm -62.11 -37.51 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.518 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 5.6 tp10 -53.71 -38.42 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.54 22.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 67' ' ' VAL . 78.7 mt -61.42 -40.08 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.491 -177.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 69' ' ' GLU . 48.3 mtmt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.882 0.372 . . . . 0.0 111.659 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -90.48 -48.19 7.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.666 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -81.42 -32.9 32.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 111.368 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.41 -11.5 68.7 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -156.84 159.73 38.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 77.3 t80 -128.86 109.59 11.4 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -82.21 97.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.473 . . . . 0.0 110.427 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -79.31 98.66 6.77 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.01 96.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.704 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.0 ttm -81.62 155.73 25.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.573 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -55.87 136.36 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 110.602 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 128.92 -26.53 4.48 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 23.9 p -102.43 17.13 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.478 0.656 . . . . 0.0 109.796 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.833 -177.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE1' ' HB2' ' A' ' 25' ' ' ASP . 28.6 ttt . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.092 0.472 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -99.28 119.21 37.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.973 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.607 HD11 ' CD1' ' A' ' 23' ' ' PHE . 11.7 pt -78.62 130.42 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.847 -173.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HA ' ' HE1' ' A' ' 57' ' ' PHE . 18.6 m170 -82.14 108.17 15.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.451 HG11 ' NE2' ' A' ' 59' ' ' HIS . 14.7 t -97.87 112.56 30.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.518 -173.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 86.3 m-85 -101.73 88.34 3.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.807 174.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.728 ' HB3' ' HG ' ' A' ' 58' ' ' CYS . 21.9 t0 -71.99 99.4 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.54 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 17.6 m -88.05 114.29 24.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.927 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -84.46 87.3 7.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.322 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -90.71 107.33 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.51 101.72 3.63 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 167.35 11.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.381 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -56.61 -33.08 65.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.422 -177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.64 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.97 -5.16 42.22 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.563 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -91.59 150.97 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.266 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -82.04 108.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.095 0.474 . . . . 0.0 111.34 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 63.6 mmm -96.2 90.54 5.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.988 175.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.54 ' HA ' ' O ' ' A' ' 8' ' ' THR . 6.0 p80 -110.41 150.14 29.25 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 7' ' ' ASP . 34.3 p90 -155.31 157.84 37.81 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.683 -172.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -96.0 108.02 20.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.189 0.519 . . . . 0.0 110.354 -174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.5 t -81.16 103.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.566 174.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' HD11 ' A' ' 3' ' ' ILE . 23.7 m-85 -91.47 118.47 30.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.8 t -148.66 142.3 25.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.433 171.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 25.6 t70 -88.08 -16.5 33.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.441 0.639 . . . . 0.0 109.714 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.12 139.71 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.071 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -97.52 87.94 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -162.91 105.63 1.04 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.573 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.067 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -70.68 -33.19 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.396 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -69.01 -39.15 79.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.444 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.98 97.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 0.0 110.063 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.482 HG21 HG13 ' A' ' 50' ' ' VAL . 83.4 mt -58.83 -42.5 85.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.374 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 10.2 tp10 -55.78 -49.48 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.442 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' HA ' HE21 ' A' ' 38' ' ' GLN . 24.3 m-85 -62.56 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.13 81.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.515 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.737 ' HZ2' ' HB2' ' A' ' 37' ' ' LYS . 10.4 mtmp? -64.71 -33.2 75.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' A' ' 35' ' ' PHE . 45.3 mt-30 -72.15 -29.87 64.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.66 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -76.52 -43.77 37.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.227 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.43 -33.65 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.668 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -74.07 -29.77 62.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 0.0 110.783 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -75.01 -36.11 61.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.36 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.0 pt -80.72 -17.53 12.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.43 33.11 6.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.579 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.58 -79.45 0.5 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.074 0.437 . . . . 0.0 110.748 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.52 0.15 1.35 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.601 0.563 . . . . 0.0 112.347 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.95 46.42 2.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.209 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.81 128.56 10.88 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.8 m -80.53 88.57 5.66 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG13 HG21 ' A' ' 33' ' ' ILE . 15.9 t -70.49 99.4 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.541 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -140.13 -168.66 2.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.007 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -67.72 0.67 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 0.0 111.334 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.56 -50.44 8.8 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 120.918 0.389 . . . . 0.0 110.608 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -94.06 -32.22 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.0 t -104.45 106.93 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 95.6 mtt180 -130.09 164.13 25.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.516 ' HZ ' ' HG ' ' A' ' 60' ' ' SER . 75.6 t80 -84.71 99.27 10.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.728 ' HG ' ' HB3' ' A' ' 7' ' ' ASP . 83.4 m -86.88 -43.88 12.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.119 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' NE2' HG11 ' A' ' 5' ' ' VAL . 2.2 p80 -154.11 164.8 37.91 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.71 0.767 . . . . 0.0 112.689 -177.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.516 ' HG ' ' HZ ' ' A' ' 57' ' ' PHE . 11.8 m -109.51 118.33 36.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.899 -1.501 . . . . 0.0 107.285 171.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HB3' HD13 ' A' ' 3' ' ' ILE . 16.9 tp10 -118.11 147.05 43.67 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.798 -169.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -77.61 103.71 7.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.37 123.32 89.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.996 -174.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 68' ' ' ILE . 48.7 Cg_endo -70.58 159.41 52.88 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.446 2.098 . . . . 0.0 111.378 172.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.15 -33.39 62.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.768 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.27 -53.7 52.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.719 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -74.81 -24.41 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.042 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.9 mm -57.61 -46.9 86.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.058 0.456 . . . . 0.0 109.781 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.51 -48.68 80.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.656 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.17 89.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.805 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' A' ' 23' ' ' PHE . 81.9 mt -68.77 -39.41 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.99 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.47 -30.76 71.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.792 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.49 -49.61 9.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.842 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -95.46 -27.61 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -172.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.99 30.22 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -155.76 156.64 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.529 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 76.7 t80 -132.79 119.47 20.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.4 mm -90.46 108.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -104.47 113.57 27.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 108.59 12.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.37 -46.77 87.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 109.902 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' A' ' 83' ' ' GLY . 9.3 tt0 -163.66 -171.78 2.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.798 176.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.481 ' H ' ' HG2' ' A' ' 82' ' ' GLU . . . 87.77 -50.11 3.93 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.653 -177.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.4 m -133.82 168.5 18.62 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.689 -175.682 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.588 ' HE3' HG12 ' A' ' 68' ' ' ILE . 51.9 ttp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -87.26 116.26 25.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.984 0.421 . . . . 0.0 110.705 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.471 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.8 pt -88.88 133.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.269 0.557 . . . . 0.0 110.965 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -90.17 106.84 18.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.65 105.19 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.73 104.58 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.61 96.86 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.448 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -93.15 124.21 36.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.227 0.537 . . . . 0.0 112.146 -167.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.46 102.19 12.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.575 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG23 HG22 ' A' ' 8' ' ' THR . 94.7 t -115.88 109.12 27.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 61.8 tttm -90.15 126.1 35.68 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.858 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.81 49.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.68 -44.29 96.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.873 0.368 . . . . 0.0 111.158 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -124.9 37.48 4.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.82 -118.74 1.24 Allowed Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.376 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -120.63 171.89 8.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.61 0.243 . . . . 0.0 110.989 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 15.4 t -93.55 114.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mtp -79.89 113.34 17.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.215 0.531 . . . . 0.0 110.031 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -103.15 102.7 12.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.04 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -136.79 133.45 35.98 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.86 0.362 . . . . 0.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -95.96 129.43 43.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.486 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG13 HG23 ' A' ' 24' ' ' THR . 41.7 t -99.53 115.18 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.578 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.533 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 83.4 m-85 -88.07 115.51 25.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.976 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.469 HG23 HG13 ' A' ' 22' ' ' VAL . 31.8 p -126.01 148.27 49.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.114 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -93.03 -42.56 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.29 126.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.273 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -74.91 88.28 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.989 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -168.26 136.66 2.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.087 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -90.13 -32.34 16.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 25.8 ttpp -64.6 -44.28 91.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HG2' ' CE2' ' A' ' 35' ' ' PHE . 15.4 ttmm -66.34 -27.61 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.26 99.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 109.741 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.551 HG12 ' SG ' ' A' ' 55' ' ' CYS . 66.2 mt -61.99 -44.75 99.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.142 175.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 42.0 mt-10 -56.98 -47.38 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.503 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 31' ' ' LYS . 18.7 m-85 -64.97 -42.09 94.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.964 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.87 -48.11 83.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' ' 33' ' ' ILE . 56.6 mtmt -66.65 -39.36 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.313 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 29.0 mt-30 -59.82 -45.51 92.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.437 177.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -64.38 -45.85 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.62 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.3 mt -58.39 -43.23 88.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.649 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 22.6 t -65.15 -33.92 77.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.627 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t -68.92 -40.77 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.2 pt -86.91 -9.47 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.28 4.31 58.48 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.167 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.75 37.2 1.22 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.368 0.604 . . . . 0.0 110.243 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 9.3 pt-20 -83.06 19.38 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.519 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.58 37.78 3.65 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.989 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.76 166.56 22.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 m -104.38 118.62 37.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -119.03 105.04 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.697 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -111.72 -174.89 2.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 173.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.426 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 36.3 t -68.06 -5.03 15.41 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.83 -40.95 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.38 -37.06 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.551 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.3 p -93.14 93.48 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 0.0 109.808 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -101.8 123.5 45.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 92.6 t80 -78.07 105.49 9.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.703 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 78.6 m -83.94 -52.53 6.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.094 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -159.15 177.19 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.356 0.598 . . . . 0.0 111.46 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.574 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 9.2 t -139.47 131.37 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.642 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.27 177.57 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.19 125.76 28.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -75.92 139.75 69.91 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.454 -173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 67' ' ' VAL . 40.8 Cg_exo -57.54 145.73 87.45 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.674 2.249 . . . . 0.0 110.492 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' HA ' HD13 ' A' ' 68' ' ' ILE . 20.5 t70 -62.95 -32.64 74.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -166.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.5 -27.66 37.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.051 -0.406 . . . . 0.0 111.588 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 64' ' ' PRO . 2.4 m -76.4 -24.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.127 0.489 . . . . 0.0 110.295 -177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG12 ' HE3' ' A' ' 1' ' ' MET . 94.6 mt -62.85 -50.14 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.335 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.39 -32.66 71.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 0.0 110.217 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.855 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 67' ' ' VAL . 79.3 mt -71.61 -27.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 0.0 110.827 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 74.4 mmtt -74.2 -36.42 63.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.178 0.513 . . . . 0.0 110.419 176.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -77.77 -52.58 8.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -86.76 -23.25 25.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.47 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.32 -28.3 14.68 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -156.09 152.21 27.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.533 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 56.3 t80 -119.72 119.27 33.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -103.28 116.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -103.33 125.78 50.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -83.7 95.33 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 42.4 ttm -73.51 -65.19 0.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.93 168.71 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.874 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.85 27.99 67.68 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.062 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m -131.51 -8.41 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.114 0.483 . . . . 0.0 110.421 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.276 179.296 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HE2' ' HB ' ' A' ' 71' ' ' ILE . 27.4 ttt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.923 0.392 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.79 151.24 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 60' ' ' SER . 20.2 pt -108.77 132.66 56.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.115 0.483 . . . . 0.0 111.027 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 19.3 m-70 -95.29 109.08 21.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.49 108.83 18.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.519 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 36.3 m-85 -101.76 99.84 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.864 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -72.29 107.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 15.2 m -97.66 104.82 16.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -83.26 102.29 11.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.64 113.34 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.248 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -74.04 96.39 2.68 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 152.27 24.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.281 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -68.29 -25.14 64.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.266 0.555 . . . . 0.0 110.356 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.29 -28.09 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.573 174.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.34 41.7 1.6 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.778 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -135.9 146.67 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -77.8 85.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.622 . . . . 0.0 109.533 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.721 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 27.7 ttt -86.42 90.62 8.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.061 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' A' ' 8' ' ' THR . 2.8 p80 -114.31 135.5 54.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.8 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -132.48 169.23 16.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 -173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -95.76 112.88 24.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.458 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.9 t -90.63 99.55 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 73.5 m-85 -86.52 108.38 18.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.142 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.648 ' HB ' HG12 ' A' ' 26' ' ' VAL . 23.2 p -127.76 138.11 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 3.9 p-10 -100.77 -10.14 21.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 24' ' ' THR . 12.5 p -59.14 -28.27 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.259 -178.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.618 ' HG3' ' CE1' ' A' ' 4' ' ' HIS . 9.3 ttm180 69.05 22.84 6.76 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.68 175.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.543 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.1 t70 -115.27 120.98 41.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.044 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.51 -47.59 81.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -175.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -66.86 -38.43 86.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.952 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 tppt? -66.61 -40.75 88.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.8 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.46 HG12 ' HB3' ' A' ' 55' ' ' CYS . 72.6 mt -66.16 -38.01 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.69 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.19 -41.77 89.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.733 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 17.1 m-85 -68.57 -37.4 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.52 99.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.19 -49.82 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.61 -20.96 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.624 0.249 . . . . 0.0 111.353 -177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -77.9 -39.94 41.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.34 -43.25 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -70.34 -23.07 62.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 t -72.32 -36.4 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -92.14 -19.48 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 111.6 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.92 -2.59 35.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.24 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -91.1 61.24 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.36 0.6 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -93.3 43.78 1.13 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.655 0.741 . . . . 0.0 109.45 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.91 33.57 6.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.29 129.48 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.719 0.295 . . . . 0.0 111.125 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -80.72 99.52 8.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 33' ' ' ILE . 32.2 t -82.37 106.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.176 0.512 . . . . 0.0 111.141 -173.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -116.18 -175.19 2.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.283 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 m -68.99 -10.64 58.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.688 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -78.6 -31.58 47.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.074 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.28 -48.67 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.811 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 46.1 t -94.87 97.49 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -107.53 118.37 36.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.139 0.495 . . . . 0.0 111.735 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.454 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 65.6 t80 -58.62 122.31 13.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.171 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.97 -56.98 2.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -164.33 167.3 19.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 111.876 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 15.7 m -123.27 131.37 53.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.022 174.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -158.12 -168.09 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.708 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -71.82 151.79 43.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.466 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.81 145.52 58.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.396 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.587 ' O ' HG12 ' A' ' 68' ' ' ILE . 33.3 Cg_endo -65.31 153.68 77.14 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.877 2.384 . . . . 0.0 112.4 176.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.89 -41.14 44.99 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.78 -55.03 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.958 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.6 m -69.39 -26.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.246 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.1 mm -53.54 -57.53 5.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.856 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.509 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.91 -48.81 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.502 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 86.8 mt -64.24 -37.67 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.595 0.236 . . . . 0.0 111.102 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HE2' HG21 ' A' ' 68' ' ' ILE . 54.9 mtmt -70.14 -17.87 63.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -99.76 -49.4 4.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 0.0 110.541 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -81.04 -26.94 35.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.77 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.17 42.24 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.531 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -163.66 154.81 16.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.0 t80 -127.73 126.88 42.66 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.89 113.51 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 110.786 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -109.77 122.4 47.4 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -75.37 107.0 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.439 ' HG2' ' OE2' ' A' ' 82' ' ' GLU . 32.4 ttm -74.99 -74.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 18' ' ' MET . 7.2 mp0 -118.19 96.92 5.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 170.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.721 ' HA3' ' HG3' ' A' ' 18' ' ' MET . . . -175.18 55.86 0.12 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.298 -177.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 p -173.1 -49.97 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.8 m120 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.82 173.408 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.97 124.65 40.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 63' ' ' ALA . 1.9 pt -93.64 124.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.356 0.598 . . . . 0.0 110.906 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -83.07 106.59 15.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.56 106.41 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 123.449 0.468 . . . . 0.0 111.272 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -104.56 98.22 8.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.56 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.1 t70 -72.09 106.81 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.777 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 14.5 m -110.63 102.57 11.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.133 0.492 . . . . 0.0 111.526 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.99 92.62 6.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 87.6 t -87.1 106.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -77.51 94.72 4.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.3 154.14 36.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.446 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -70.27 -53.65 15.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -173.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -121.99 -3.01 9.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.462 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.02 -103.48 0.49 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.459 -0.877 . . . . 0.0 110.912 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -165.47 169.02 16.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.3 107.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.451 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 97.3 mmm -71.9 110.01 6.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.416 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -91.39 102.81 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -158.78 156.47 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.21 152.68 47.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.264 0.554 . . . . 0.0 110.623 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -107.42 115.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.848 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 60.3 m-85 -91.35 113.48 25.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.1 t -131.82 150.75 52.06 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.566 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -86.52 -20.21 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.594 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG13 ' H ' ' A' ' 28' ' ' ASP . 95.5 t -63.17 141.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.345 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -102.38 23.55 11.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.315 0.578 . . . . 0.0 110.308 -174.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.5 t70 -118.18 120.84 38.93 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.361 -175.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.79 -35.66 81.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.96 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.03 -37.05 72.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.764 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 63.0 mmtt -65.81 -37.43 86.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.189 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.32 94.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.063 0.459 . . . . 0.0 110.006 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG12 ' SG ' ' A' ' 55' ' ' CYS . 77.2 mt -61.11 -43.72 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.453 174.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 36.4 tt0 -56.91 -51.44 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.785 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.61 -40.73 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.91 -43.02 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 0.0 110.236 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.48 -37.73 88.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.517 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.1 mt-30 -56.24 -38.14 70.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -76.71 -38.63 53.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.13 0.49 . . . . 0.0 110.161 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD22 HD12 ' A' ' 43' ' ' ILE . 95.7 mt -65.05 -30.18 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -67.27 -36.22 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -69.55 -40.29 76.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.48 HD12 HD22 ' A' ' 40' ' ' LEU . 32.0 pt -86.75 -10.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.985 0.421 . . . . 0.0 111.003 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.51 32.04 62.46 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.199 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 47' ' ' GLY . 72.7 mm-40 -115.83 18.54 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.918 0.359 . . . . 0.0 111.567 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.52 23.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 45' ' ' GLU . . . -73.44 -15.66 79.02 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.076 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.05 30.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -77.57 89.94 3.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.175 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.14 97.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.517 0.675 . . . . 0.0 110.14 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 t -131.43 179.13 6.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.456 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -48.46 -25.79 1.82 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.44 1.096 . . . . 0.0 113.053 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.82 -35.57 43.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -93.4 -28.67 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.923 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.488 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.8 p -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 171.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -92.73 124.99 37.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.146 -173.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -74.26 123.98 25.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.303 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 59.4 m -87.77 -63.9 1.23 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.705 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -175.78 -177.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.942 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m -119.53 125.7 49.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.522 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.07 177.48 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -66.59 144.65 56.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 3' ' ' ILE . . . -94.14 126.48 48.52 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.39 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 67' ' ' VAL . 33.1 Cg_exo -61.6 129.41 27.82 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.156 1.904 . . . . 0.0 110.114 170.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' HA ' HD13 ' A' ' 68' ' ' ILE . 33.9 t70 -55.45 -30.1 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.913 0.387 . . . . 0.0 111.506 -174.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.77 -22.11 63.75 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.336 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.5 m -103.42 -12.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 111.34 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 65' ' ' ASP . 61.8 mt -76.69 -36.58 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -167.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.35 -39.41 92.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.04 93.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.02 -34.03 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.9 -36.84 84.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -85.05 -44.7 12.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -94.82 -31.72 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.65 -6.98 63.1 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.46 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -155.4 151.48 27.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.664 0.269 . . . . 0.0 110.505 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.4 t80 -124.3 110.59 14.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.5 mm -83.81 99.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.977 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 81' ' ' MET . 91.0 t80 -85.72 110.73 19.53 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.675 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.555 ' HD3' ' SG ' ' A' ' 84' ' ' CYS . 85.1 mttt -76.91 93.37 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 48.4 ttm -55.14 -62.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.63 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -160.64 18.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.458 0.647 . . . . 0.0 109.548 177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.36 -30.94 73.56 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.506 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.555 ' SG ' ' HD3' ' A' ' 80' ' ' LYS . 57.8 m -102.96 101.04 11.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.985 0.421 . . . . 0.0 109.967 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.643 -0.694 . . . . 0.0 110.371 -175.545 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HE3' ' HB2' ' A' ' 25' ' ' ASP . 28.0 ttt . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -101.81 122.61 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.969 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 60' ' ' SER . 10.3 pt -95.75 127.47 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.233 0.54 . . . . 0.0 111.36 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.24 112.76 18.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.467 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.65 103.13 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 98.3 m-85 -105.84 88.41 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.52 173.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.63 120.26 23.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 121.599 0.714 . . . . 0.0 109.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 6.1 m -101.79 134.23 45.29 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.079 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -104.38 84.35 2.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.204 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.547 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 48.9 t -89.6 119.26 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 12.0 mptt -82.43 95.67 7.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.52 150.82 36.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.364 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.69 -21.17 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.369 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.12 7.74 1.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.41 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.89 24.84 76.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.88 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -119.91 130.08 54.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.89 0.376 . . . . 0.0 110.779 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -81.38 99.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.547 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 90.6 mmm -79.92 90.75 5.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.3 t-160 -98.44 101.12 12.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.656 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.64 149.9 46.62 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.962 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 5.8 m-20 -96.0 116.07 28.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.369 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 HG23 ' A' ' 24' ' ' THR . 47.0 t -87.96 98.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 41.9 m-85 -84.06 116.4 22.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.743 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 22' ' ' VAL . 9.0 p -129.35 140.8 51.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.617 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 29.5 t70 -80.08 -35.4 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -60.45 119.87 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.57 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.752 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -94.51 36.63 1.15 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.411 0.624 . . . . 0.0 110.974 -173.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -102.46 154.31 19.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.946 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -86.32 -46.71 10.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -71.28 -39.8 71.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.774 -174.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -59.79 -40.0 86.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.66 84.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 HG13 ' A' ' 50' ' ' VAL . 83.6 mt -62.95 -37.99 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.685 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 40.0 tt0 -64.33 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.41 -36.98 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.09 91.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.171 0.51 . . . . 0.0 110.564 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 34' ' ' GLU . 8.3 mtmp? -73.63 -26.78 60.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.158 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.8 mm100 -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -66.01 -37.66 86.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.362 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.7 -37.78 87.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.479 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -66.07 -38.12 87.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -59.98 -45.53 92.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.925 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -79.15 -11.54 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 10.55 38.86 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.426 -0.893 . . . . 0.0 113.739 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -96.77 -2.77 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 66.56 -76.04 0.05 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.862 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.81 101.91 0.15 Allowed Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.217 -177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -175.4 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m -71.25 89.17 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.112 0.482 . . . . 0.0 110.384 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG13 HG23 ' A' ' 33' ' ' ILE . 51.2 t -104.03 108.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.349 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.6 p -106.58 -172.5 2.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.799 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -83.16 -8.53 59.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -85.64 -39.91 16.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.446 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 9.4 mm-40 -74.95 -46.59 34.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.407 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 15.6 t -95.44 95.73 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -97.36 135.46 39.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.61 -167.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -92.76 107.22 19.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.04 -65.6 0.98 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.725 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -166.41 -178.39 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.769 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.8 m -115.67 113.22 23.22 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -118.91 -177.0 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.39 . . . . 0.0 111.515 -173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.644 ' H ' ' HD2' ' A' ' 62' ' ' LYS . 2.8 mptp? -69.75 142.19 53.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.269 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB3' HG22 ' A' ' 3' ' ' ILE . . . -110.36 116.36 53.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.561 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.6 Cg_exo -74.24 157.47 45.93 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.739 2.293 . . . . 0.0 111.019 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 29.3 t70 -55.06 -24.27 24.2 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 111.721 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -49.09 -48.99 43.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.07 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.83 -21.46 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.2 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.9 mm -54.29 -59.87 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -30.91 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -53.83 9.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.739 0.304 . . . . 0.0 111.149 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.68 -33.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -71.97 -24.77 61.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.151 0.5 . . . . 0.0 111.177 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -85.26 -57.64 3.0 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -97.23 -40.29 8.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.568 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.51 -30.97 2.64 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.101 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -145.93 168.73 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.904 0.352 . . . . 0.0 111.18 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 66.7 t80 -132.01 119.99 21.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 110.332 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.3 mm -94.86 102.84 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.671 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 82.0 t80 -85.04 112.71 20.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.344 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.57 ' HD2' ' SG ' ' A' ' 84' ' ' CYS . 28.9 mmtp -71.34 98.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.68 172.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.443 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 46.3 ttm -58.42 -56.71 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.09 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.611 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.56 111.04 2.13 Favored Glycine 0 N--CA 1.452 -0.286 0 O-C-N 124.052 0.845 . . . . 0.0 113.5 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 80' ' ' LYS . 69.7 m -143.01 -53.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.582 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.748 0.309 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -113.53 145.61 40.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 60' ' ' SER . 43.0 pt -110.37 149.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.713 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.643 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 9.2 m170 -89.57 121.74 32.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.86 176.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.79 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 95.7 m-85 -109.59 104.31 13.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.184 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.66 107.4 4.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -106.66 120.7 42.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 111.829 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -86.84 102.23 14.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.367 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -107.88 109.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.479 . . . . 0.0 110.101 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -83.87 105.0 14.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.463 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.94 146.47 43.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -62.99 -37.54 87.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.829 0.347 . . . . 0.0 111.049 -172.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.08 24.17 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.572 0.701 . . . . 0.0 109.615 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -120.4 28.64 6.19 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.703 -175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 83.9 t60 73.33 147.21 0.09 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 111.19 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.11 110.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.708 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 73.5 mtp -79.84 116.61 20.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.53 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -102.73 116.91 33.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 45.3 p90 -144.96 149.86 35.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -96.06 113.39 25.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.596 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -83.61 103.01 10.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 42.4 m-85 -83.7 107.37 16.09 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -122.71 145.57 48.27 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.768 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' HB2' ' CG2' ' A' ' 71' ' ' ILE . 5.3 t70 -79.69 -42.0 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 0.0 110.557 175.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' A' ' 31' ' ' LYS . 8.8 t -64.77 142.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.544 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 55.1 mtm180 -98.05 23.21 8.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.97 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' H ' HG13 ' A' ' 26' ' ' VAL . 4.3 m-20 -104.54 121.81 44.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.229 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -61.03 -39.62 90.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -59.13 -38.25 79.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 40.9 tptt -74.96 -39.49 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.55 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 109.966 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 HG22 ' HE2' ' A' ' 37' ' ' LYS . 83.0 mt -59.68 -43.45 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.393 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.34 -46.1 91.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.072 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 13.0 m-85 -61.0 -41.13 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.805 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.69 -43.76 95.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HE2' HG22 ' A' ' 33' ' ' ILE . 53.2 mtmt -70.56 -34.29 72.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.391 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.027 0.441 . . . . 0.0 109.966 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -68.86 -43.83 74.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.981 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.7 mt -59.35 -40.45 86.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 62.4 m -62.35 -36.23 81.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.691 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -71.16 -39.01 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.816 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 40' ' ' LEU . 39.6 pt -80.87 -8.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.403 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.7 14.44 31.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.73 173.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -97.17 -9.56 27.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.587 -0.361 . . . . 0.0 110.475 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 45.1 mt-10 61.77 -88.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.956 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.64 95.65 0.15 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.16 -176.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m -65.93 96.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.43 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.91 96.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.171 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -125.4 -168.09 1.78 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.058 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -56.54 -25.42 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.27 0.356 . . . . 0.0 111.758 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.66 -43.97 44.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.273 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -76.37 -33.52 58.92 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.61 114.6 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.218 0.532 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -102.09 126.29 49.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -79.27 107.87 12.35 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 60.0 m -73.91 -60.03 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 178.01 -178.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.253 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 19.7 m -122.25 120.92 35.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -135.68 170.7 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.828 0.347 . . . . 0.0 111.544 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.84 128.45 35.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.987 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 3' ' ' ILE . . . -98.41 152.27 37.87 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.508 -176.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.41 ' O ' HG12 ' A' ' 68' ' ' ILE . 31.4 Cg_exo -59.57 142.47 98.9 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.443 2.096 . . . . 0.0 110.782 172.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.38 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.962 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.38 -48.55 81.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.607 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 71' ' ' ILE . 21.0 m -79.04 -13.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.746 0.308 . . . . 0.0 111.131 -175.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.4 mm -62.0 -33.4 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -45.54 94.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.672 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.17 89.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.992 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 67' ' ' VAL . 46.4 mm -67.16 -36.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 0.0 110.807 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.96 -30.88 56.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.99 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -83.5 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.392 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.11 -24.34 18.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.25 -8.4 58.91 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -156.76 160.34 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 82.9 t80 -137.41 123.69 20.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.583 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.5 mm -94.13 108.03 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -111.34 116.01 30.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.02 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 55.7 mtmt -80.26 131.81 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.949 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 34.6 ttm -76.91 -54.44 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.459 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.68 166.81 23.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.196 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.48 9.27 85.06 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.221 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.403 ' C ' HD21 ' A' ' 85' ' ' ASN . 4.3 p -127.27 95.65 4.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.646 -178.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.403 HD21 ' C ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.122 -0.942 . . . . 0.0 109.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 68' ' ' ILE . 26.2 ttt . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.773 0.32 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -147.45 140.22 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HB ' ' HD1' ' A' ' 23' ' ' PHE . 12.1 pt -70.72 123.64 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.664 . . . . 0.0 111.875 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -94.04 113.85 25.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 23' ' ' PHE . 27.1 t -87.22 108.33 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.878 -175.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.533 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 86.8 m-85 -107.43 92.81 4.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 12.2 t70 -69.55 105.73 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -107.24 122.11 45.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.132 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 74.8 m-85 -85.58 126.85 34.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.392 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 40' ' ' LEU . 60.7 t -120.79 111.8 33.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -78.84 107.18 11.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.39 148.85 35.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.83 -39.72 94.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -147.6 -17.54 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -82.76 29.46 3.34 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.657 -176.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 54.2 t60 74.44 137.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.752 0.787 . . . . 0.0 112.35 174.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 113.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.277 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.43 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 68.8 mtm -102.91 142.16 34.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.05 137.89 31.39 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -136.61 169.22 18.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.598 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 11.3 m-20 -95.69 111.76 23.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.4 t -87.77 105.13 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 93.3 m-85 -94.46 113.15 24.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.582 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -140.48 157.62 45.24 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.223 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 30.3 t70 -93.96 -15.14 25.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.227 0.537 . . . . 0.0 110.069 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.67 131.12 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -98.14 81.75 2.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -168.76 132.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.052 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.38 -33.13 32.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.74 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -67.92 -44.73 76.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -65.38 -33.84 76.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.236 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.95 83.66 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.439 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.15 -40.87 79.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.206 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 tt0 -59.13 -47.04 86.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.755 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -59.19 -43.4 92.22 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.74 -44.19 93.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.998 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.18 -34.72 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.6 mm100 -57.7 -46.47 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.719 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -65.08 -40.43 94.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.258 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 91.6 mt -64.75 -44.3 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.335 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.661 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.2 m -61.96 -34.58 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.996 0.427 . . . . 0.0 110.425 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -71.66 -45.57 61.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -72.12 -23.45 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.32 -14.7 5.86 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.12 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.48 -34.62 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.761 0.281 . . . . 0.0 110.681 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.661 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 9.2 tp10 70.0 -72.92 0.1 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.114 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 108.33 0.69 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -121.2 156.27 32.76 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -69.47 104.98 2.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.867 0.365 . . . . 0.0 111.217 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.25 101.87 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.147 0.498 . . . . 0.0 109.822 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 p -121.41 -168.08 1.62 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.139 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 m -69.79 -7.04 36.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -82.56 -42.85 17.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.149 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 12.5 mm-40 -89.82 -42.95 10.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.072 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.91 109.07 21.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -125.46 147.45 49.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -87.26 112.82 22.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 72.8 m -91.22 -48.19 7.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.816 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -169.15 172.84 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.392 0.615 . . . . 0.0 110.761 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -144.46 139.13 28.13 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.888 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -162.59 178.25 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.298 -169.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -54.02 110.81 0.64 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 124.034 0.834 . . . . 0.0 111.082 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.85 129.73 69.67 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.919 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.532 ' O ' HG23 ' A' ' 67' ' ' VAL . 31.8 Cg_exo -59.54 144.38 99.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.504 2.136 . . . . 0.0 110.889 171.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.701 0.286 . . . . 0.0 111.756 -174.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.32 -34.41 76.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 64' ' ' PRO . 14.6 m -73.9 -18.79 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.683 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.497 HG21 ' HE3' ' A' ' 72' ' ' LYS . 45.4 mm -62.36 -38.4 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.084 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 10.3 tp10 -60.12 -44.4 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.08 93.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.939 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 67' ' ' VAL . 63.3 mt -66.75 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.497 ' HE3' HG21 ' A' ' 68' ' ' ILE . 99.4 mttt -67.73 -55.41 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.14 0.495 . . . . 0.0 110.637 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 70.2 mm-40 -69.59 -50.33 45.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.154 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.96 -19.01 19.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.316 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.74 -13.32 67.04 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.303 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -161.54 142.37 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.439 . . . . 0.0 110.141 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 65.0 t80 -106.28 115.88 30.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 176.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.8 mm -90.09 109.79 21.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.522 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 43.3 t80 -96.4 106.41 18.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.31 99.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.262 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.9 ttm -72.55 159.95 33.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.405 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.8 129.71 20.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.456 0.646 . . . . 0.0 111.608 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.76 -19.4 14.12 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.65 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 18' ' ' MET . 24.5 m -98.74 143.41 29.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.59 176.689 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 121.084 0.469 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 63' ' ' ALA . 14.4 pt -81.84 123.98 38.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -89.61 110.78 21.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.32 104.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.642 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -100.91 99.2 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.728 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.9 t70 -67.58 111.85 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.695 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 m -109.45 129.39 55.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 97.9 m-85 -100.27 111.83 24.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.457 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.594 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 54.2 t -118.93 109.57 27.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.238 0.542 . . . . 0.0 109.544 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.7 104.71 14.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.763 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 170.049 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 81.8 mmm -79.49 90.65 5.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.856 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' MET . 7.7 t-160 -99.21 95.18 6.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.949 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 51.0 p90 -131.55 150.79 52.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.925 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.38 136.28 45.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.473 0.654 . . . . 0.0 110.436 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 47.0 t -97.67 114.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.238 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 71' ' ' ILE . 76.0 m-85 -84.29 111.85 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -140.05 161.26 38.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.257 0.551 . . . . 0.0 111.195 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.01 -16.13 25.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.829 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 28' ' ' ASP . 30.1 t -75.25 143.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -103.81 22.36 14.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.035 0.445 . . . . 0.0 111.356 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.614 ' H ' HG12 ' A' ' 26' ' ' VAL . 33.4 t70 -104.42 122.53 45.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.135 -176.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -36.17 83.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.246 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 30' ' ' LYS . 6.3 ttpm? -63.67 -43.9 95.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.265 176.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 57.8 mmtt -60.69 -38.14 83.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.195 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.64 87.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.291 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 62.7 mt -62.07 -49.15 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.412 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 32.5 tt0 -59.59 -48.33 82.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.466 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.95 -39.01 93.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.744 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.52 -43.28 94.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.667 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 58.9 mtpt -66.93 -41.91 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.202 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 53.3 mt-30 -60.41 -39.51 87.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 109.998 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -67.59 -43.2 81.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.789 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.1 mt -59.37 -47.3 85.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.986 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.9 m -63.21 -29.37 70.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -71.16 -51.35 25.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.611 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -77.63 -26.53 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.041 177.105 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.99 110.11 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 110.507 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 p -108.9 -174.05 2.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.335 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 61.7 m -65.43 -19.0 65.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.652 175.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.89 -29.86 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.763 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 6.4 mm-40 -82.35 -32.36 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.439 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 31.2 p -85.2 131.32 34.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 62.3 ttt180 -139.43 143.41 37.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.951 -175.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -110.58 122.04 46.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 76.6 m -84.35 -67.6 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.795 0.331 . . . . 0.0 110.516 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -177.18 -179.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -118.14 130.42 56.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.374 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.52 178.88 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.502 0.191 . . . . 0.0 111.029 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -64.34 148.35 50.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.529 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -118.07 124.72 28.47 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.883 -173.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.509 ' O ' HG12 ' A' ' 68' ' ' ILE . 22.7 Cg_exo -66.19 155.56 69.16 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.947 2.431 . . . . 0.0 111.553 173.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.21 -37.0 61.62 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.812 0.445 . . . . 0.0 111.633 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -54.69 -55.18 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.979 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 m -71.51 -24.87 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.235 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 64' ' ' PRO . 50.0 mm -57.53 -50.2 77.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.205 0.526 . . . . 0.0 109.853 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -46.11 83.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.969 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 23' ' ' PHE . 57.9 mt -70.99 -31.36 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.09 -34.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -91.1 -46.27 8.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.162 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -96.39 -17.79 20.38 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.67 -29.06 10.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.137 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -157.59 158.26 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -139.58 122.63 16.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.388 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.3 mp -97.27 130.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 91.5 t80 -108.6 133.27 52.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.139 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -76.2 87.73 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.7 ttm . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 67' ' ' VAL . 10.9 pt -80.09 131.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 0.0 111.637 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -89.7 106.23 18.32 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.62 120.4 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.166 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' OH ' ' HA ' ' A' ' 27' ' ' ARG . 96.3 m-85 -106.67 115.38 30.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.567 0.698 . . . . 0.0 110.844 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.4 102.45 8.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.379 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 9.3 m -108.22 117.37 33.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.431 . . . . 0.0 111.501 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -101.58 108.13 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.47 174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 40' ' ' LEU . 55.1 t -107.5 109.34 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -89.45 95.19 10.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.252 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.348 -179.667 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.329 0.585 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 62.2 mmm -89.8 106.22 18.32 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.591 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 8' ' ' THR . 11.9 p80 -114.27 125.29 53.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 81' ' ' MET . 25.6 p90 -143.44 171.58 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.049 -173.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 81' ' ' MET . 5.1 m-20 -103.73 115.48 30.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.366 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.577 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 92.2 t -91.83 111.96 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -96.13 118.8 33.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -151.27 174.28 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -96.84 -30.29 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.511 . . . . 0.0 110.237 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.85 122.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 12.5 ptt85 -101.8 62.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.601 0.715 . . . . 0.0 110.075 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' LYS . 14.5 t70 -123.97 131.89 53.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 t70 -50.31 -64.54 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.816 0.697 . . . . 0.0 112.227 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.84 -34.94 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.798 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 21.2 tptm -60.73 -44.41 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.035 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.33 95.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.095 0.474 . . . . 0.0 111.006 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 37' ' ' LYS . 60.5 mt -64.25 -37.55 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' OE1' ' HD2' ' A' ' 37' ' ' LYS . 1.5 tp10 -65.1 -35.17 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -62.01 -42.31 99.02 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 110.436 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.99 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 33' ' ' ILE . 85.6 mttt -64.41 -33.73 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 75.3 mt-30 -58.71 -40.95 85.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -69.36 -44.62 71.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.004 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 10' ' ' VAL . 95.4 mt -61.16 -39.79 91.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.236 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -65.71 -32.59 74.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.181 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -74.21 -27.42 60.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.272 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.0 pt -98.02 -0.36 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 111.073 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.541 174.495 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.07 104.13 15.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 110.271 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 -161.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -64.03 -21.19 66.41 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 28.7 tt0 -85.03 -17.44 37.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.316 0.579 . . . . 0.0 110.199 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -94.89 -45.53 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.624 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG12 ' A' ' 33' ' ' ILE . 41.9 t -101.73 104.55 15.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.693 176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 1.3 mpp_? -109.78 146.11 35.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.56 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -72.22 111.16 7.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 t -75.13 -63.3 1.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.039 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -179.53 177.33 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.232 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -95.61 135.71 36.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.49 158.55 44.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.001 0.429 . . . . 0.0 111.054 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -60.03 130.98 49.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.862 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -92.89 116.98 67.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.938 -173.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 67' ' ' VAL . 10.0 Cg_exo -72.33 148.23 48.7 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.884 2.389 . . . . 0.0 111.367 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -57.4 -28.09 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.411 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.76 -39.02 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.696 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 3' ' ' ILE . 12.6 m -97.44 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.531 -171.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.38 -52.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.98 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -18.43 58.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.47 -50.43 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.14 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.27 -24.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.434 0.635 . . . . 0.0 110.135 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.39 -25.65 62.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -92.58 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.069 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -99.03 -36.83 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.588 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.17 0.67 54.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.94 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -155.32 116.43 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -108.61 116.46 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.248 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.27 109.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.122 0.486 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -94.03 123.1 37.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -75.82 93.18 3.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.039 0.447 . . . . 0.0 110.401 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 41.8 ttm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.376 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.585 HG21 HG21 ' A' ' 67' ' ' VAL . 18.4 pt -81.77 127.5 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.448 0.642 . . . . 0.0 111.83 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -90.31 118.75 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.828 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' CE1' ' A' ' 23' ' ' PHE . 42.8 t -90.78 106.39 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 57' ' ' PHE . 88.0 m-85 -105.28 95.58 5.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.05 175.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.61 107.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 16.7 m -106.08 119.76 40.04 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.072 -174.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -112.36 80.11 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.234 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.0 t -78.25 118.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.03 0.443 . . . . 0.0 110.04 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -92.67 92.22 7.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.337 -176.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 79.7 mtp -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.171 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.55 102.78 15.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.228 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HA ' ' H ' ' A' ' 81' ' ' MET . 53.2 p90 -149.65 158.05 43.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.4 128.6 47.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -97.48 102.65 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.999 0.428 . . . . 0.0 109.855 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 92.8 m-85 -87.51 116.33 25.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.007 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 p -136.11 160.5 38.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.574 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.8 -25.79 22.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.362 0.601 . . . . 0.0 109.565 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 28' ' ' ASP . 24.1 t -64.17 126.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.142 -176.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -96.87 21.03 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.954 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.68 ' H ' HG12 ' A' ' 26' ' ' VAL . 13.8 t70 -106.93 126.64 52.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.771 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.82 -30.95 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.832 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 21.7 tptm -76.03 -49.87 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.707 0.289 . . . . 0.0 110.702 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB3' HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.64 -33.78 75.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.268 -174.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.46 94.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.359 173.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.546 HG12 ' SG ' ' A' ' 55' ' ' CYS . 74.5 mt -65.35 -39.69 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 53.6 mt-10 -56.15 -47.54 78.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.752 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.98 -34.86 79.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.729 0.299 . . . . 0.0 111.033 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.34 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 0.0 110.341 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 53.3 mtpt -71.37 -27.24 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 16.3 mm100 -59.13 -42.89 91.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 109.936 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -72.04 -41.45 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.93 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -68.67 -24.07 64.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.3 m -76.77 -34.68 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.155 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.55 14.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.46 . . . . 0.0 110.959 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.289 175.373 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.78 110.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 53' ' ' GLU . 8.9 t -131.26 -162.79 1.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -58.77 -16.61 17.69 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.799 0.839 . . . . 0.0 113.029 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 51' ' ' THR . 55.9 mm-40 -82.1 -30.18 31.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 8' ' ' THR . 7.1 mp0 -83.33 -51.9 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.158 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.546 ' SG ' HG12 ' A' ' 33' ' ' ILE . 12.0 p -101.42 99.09 9.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.296 0.569 . . . . 0.0 110.182 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -95.89 121.21 37.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.945 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 80.8 t80 -75.59 99.41 4.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 83.0 m -86.2 -45.88 10.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -167.68 -178.3 3.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.449 0.642 . . . . 0.0 112.032 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.4 m -129.09 145.55 51.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.649 -1.16 . . . . 0.0 107.971 170.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.75 -176.51 4.91 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.269 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 84.9 tttt -60.78 125.66 24.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.054 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.13 113.46 57.33 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.409 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 68' ' ' ILE . 16.3 Cg_exo -68.97 155.72 67.6 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.835 2.357 . . . . 0.0 111.333 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.93 -32.68 69.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.131 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.11 -52.31 61.42 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.654 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 3' ' ' ILE . 17.5 m -74.64 -25.56 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.556 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 64' ' ' PRO . 48.7 mm -61.22 -47.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.24 -50.32 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.747 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -49.88 75.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.834 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.66 -19.76 20.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 0.0 110.923 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -82.39 -27.6 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -106.18 -34.83 7.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -103.88 -26.88 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.948 0.404 . . . . 0.0 111.093 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.81 -11.88 70.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.663 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -148.56 158.11 43.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 52.9 t80 -140.6 114.01 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.471 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.22 110.24 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -98.78 114.22 26.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.13 101.04 2.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.625 0.726 . . . . 0.0 110.058 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.458 ' H ' ' HA ' ' A' ' 20' ' ' PHE . 32.4 ttm . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.847 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.408 0.147 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.8 pt -78.26 106.47 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.487 0.661 . . . . 0.0 110.256 173.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 7.0 m-70 -75.56 102.27 5.21 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.511 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.03 99.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.649 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 74.9 m-85 -96.28 101.17 12.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 0.0 110.492 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.4 t70 -74.95 107.41 7.01 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -105.46 128.87 53.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.04 0.448 . . . . 0.0 111.88 -169.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -102.55 90.16 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.233 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 60.6 t -93.19 104.23 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.131 0.491 . . . . 0.0 110.409 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.67 104.17 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.454 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.134 -176.566 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 91.6 mmm -67.12 103.01 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.907 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 81' ' ' MET . 10.5 t-160 -103.8 103.56 13.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.734 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 49.9 p90 -142.05 161.99 36.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.473 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -113.44 141.19 47.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.331 0.586 . . . . 0.0 110.685 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 34.4 t -108.28 117.05 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.617 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 89.9 m-85 -81.85 111.82 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.183 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.411 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -133.23 156.31 47.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.427 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -99.13 -4.11 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.408 0.623 . . . . 0.0 109.612 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 28' ' ' ASP . 22.3 t -72.46 144.62 12.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.569 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 19.5 ptt-85 -98.97 16.8 21.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.303 0.573 . . . . 0.0 110.645 -176.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.569 ' H ' HG12 ' A' ' 26' ' ' VAL . 5.8 m-20 -119.58 123.47 44.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.594 -172.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.9 m-20 -66.45 -44.37 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.201 0.524 . . . . 0.0 109.804 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 27.4 tptp -64.93 -34.17 77.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.466 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 56.2 tptt -74.59 -38.36 62.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.905 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.59 90.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 29' ' ' ASP . 91.0 mt -53.36 -47.1 58.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.138 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -41.17 87.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 26' ' ' VAL . 60.0 m-85 -67.52 -41.46 84.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.627 0.251 . . . . 0.0 110.904 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.72 -42.35 97.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.548 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 52.4 mtpt -68.7 -29.78 68.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -59.9 -41.26 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.033 0.444 . . . . 0.0 110.263 174.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -68.5 -47.71 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.835 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 96.3 mt -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.69 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -60.11 -28.89 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 0.0 111.33 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 m -77.91 -40.34 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.8 pt -78.45 -20.95 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.336 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.163 177.603 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.029 0.442 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.31 99.5 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.645 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -105.93 -168.6 1.46 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.729 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 11.6 t -69.28 -2.46 10.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.221 0.534 . . . . 0.0 110.088 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -89.84 -35.04 15.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.157 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -80.94 -29.72 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.214 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 26.3 p -92.07 102.75 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.194 0.521 . . . . 0.0 110.438 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -97.84 108.31 20.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.609 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -69.72 103.8 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.8 m -80.38 -53.75 6.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.747 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -170.92 179.58 3.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.424 0.631 . . . . 0.0 111.687 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 49.9 m -140.07 112.35 7.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.563 171.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -124.29 -167.76 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.886 -173.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -61.44 117.23 5.42 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.255 0.55 . . . . 0.0 110.926 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -78.23 126.37 83.51 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.534 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.65 141.23 45.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.306 2.004 . . . . 0.0 111.161 172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.04 -21.31 61.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.653 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.35 -53.15 61.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.01 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -75.58 -22.09 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.425 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.77 -45.91 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.991 0.424 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.34 -42.21 88.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.475 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.55 79.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.27 -27.61 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -71.56 -31.17 66.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.45 -46.78 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.722 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -95.59 -28.06 15.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.67 74.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.328 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -160.47 163.26 33.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 72.9 t80 -146.72 106.62 3.98 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.299 175.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.2 mp -85.79 117.87 31.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 66.8 t80 -93.97 120.69 34.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.787 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -72.58 96.91 2.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 48.7 ttm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.651 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.412 HG23 ' HB2' ' A' ' 63' ' ' ALA . 27.0 pt -79.6 128.12 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.209 0.528 . . . . 0.0 110.994 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -92.1 114.75 27.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.16 112.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 69.4 m-85 -110.67 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.368 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -92.4 102.46 14.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -98.27 123.51 42.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.054 0.454 . . . . 0.0 111.36 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -91.31 86.05 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.702 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.25 102.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.988 0.423 . . . . 0.0 109.913 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 5.8 mptt -78.48 93.3 4.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.989 -175.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG13 ' HG3' ' A' ' 11' ' ' LYS . 21.3 t . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttp -80.2 119.67 23.28 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.219 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -109.65 126.88 54.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HA ' ' H ' ' A' ' 81' ' ' MET . 33.9 p90 -146.73 146.84 30.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.572 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 18.5 m-20 -84.55 115.77 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.558 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 43.2 t -91.75 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 65.0 m-85 -84.62 114.97 22.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.072 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 22' ' ' VAL . 18.8 p -120.25 151.36 39.27 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.978 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -90.61 -42.57 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.315 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.81 138.74 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.751 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -88.29 36.44 0.78 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.075 0.464 . . . . 0.0 110.916 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.86 133.53 54.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.329 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.8 -29.46 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 34.1 ttpt -78.05 -43.97 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 110.204 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HZ3' ' HZ ' ' A' ' 35' ' ' PHE . 56.4 tttm -61.74 -31.74 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.963 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . . . -66.77 -34.33 77.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.546 176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 51' ' ' THR . 67.6 mt -63.29 -45.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.346 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -55.75 -41.35 73.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 176.558 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 22.6 m-85 -58.85 -46.77 86.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.761 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.59 -42.08 95.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.983 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 8.9 mtpm? -65.63 -36.13 82.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.242 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 55.7 mt-30 -62.38 -42.07 99.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.65 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -68.08 -38.93 82.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 68.3 mt -60.3 -40.42 90.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.636 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 m -63.36 -34.58 78.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.613 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 m -66.68 -47.29 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -79.7 -24.95 12.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.698 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.221 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.959 0.409 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.29 120.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.03 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.496 ' HA ' HD13 ' A' ' 33' ' ' ILE . 11.9 t -145.02 -168.8 3.03 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.778 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -51.3 -41.19 60.32 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.929 0.891 . . . . 0.0 112.685 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 51' ' ' THR . 36.8 tt0 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 111.048 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.06 -48.26 9.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.011 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 6.9 t -93.85 92.63 7.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.15 125.54 35.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.907 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -72.19 126.02 28.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.461 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.6 m -100.01 -73.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.89 176.76 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.653 0.74 . . . . 0.0 111.93 -173.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -123.39 107.23 11.39 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' OE2' ' HG2' ' A' ' 62' ' ' LYS . 10.7 tp10 -117.95 163.36 16.69 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.902 0.382 . . . . 0.0 111.11 -164.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' ' OE2' ' A' ' 61' ' ' GLU . 17.5 pttm -59.38 132.23 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.74 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -88.54 120.06 70.23 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.572 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.75 146.86 96.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.026 2.484 . . . . 0.0 111.549 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.3 -38.84 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.995 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.75 -48.9 77.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 m -70.86 -17.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.0 mm -53.44 -60.35 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.463 0.649 . . . . 0.0 110.603 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 38.0 mt-10 -71.15 -35.85 71.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.812 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.57 93.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.251 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -37.09 78.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.804 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -61.94 -34.71 76.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.834 0.349 . . . . 0.0 111.783 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 30.6 mm-40 -73.92 -40.5 63.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.062 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -109.99 -24.54 10.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 -9.14 56.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -158.94 168.84 25.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.469 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 91.1 t80 -136.57 124.05 22.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.564 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.6 mm -96.22 107.41 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.981 0.42 . . . . 0.0 110.635 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.6 t80 -105.82 117.92 35.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.506 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -76.12 92.2 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 111.001 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.422 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 26.8 ttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.21 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 63' ' ' ALA . 23.2 pt -78.59 122.24 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.473 0.654 . . . . 0.0 111.224 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 27' ' ' ARG . 12.6 m170 -89.74 128.36 36.1 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.773 172.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 23' ' ' PHE . 52.3 t -94.29 103.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.335 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -97.57 102.22 13.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.227 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' CG ' ' HE2' ' A' ' 19' ' ' HIS . 10.9 t70 -69.82 112.76 6.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.073 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -112.27 116.48 30.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.073 0.463 . . . . 0.0 111.838 -173.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -96.37 109.12 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.954 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -107.92 109.54 28.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 110.108 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -87.36 80.88 8.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.885 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.816 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 69.6 mtp -85.78 131.75 34.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 -175.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' HE2' ' CG ' ' A' ' 7' ' ' ASP . 26.8 t-80 -125.15 99.54 6.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.391 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.96 147.46 52.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -96.19 120.13 35.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 110.994 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -88.05 110.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.014 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 23.0 m-85 -94.29 118.75 32.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.19 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.49 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.0 t -151.49 157.69 42.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.29 174.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -83.12 -19.22 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 28' ' ' ASP . 64.1 t -57.87 126.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.422 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 67.6 mtm-85 -98.06 23.38 8.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.986 -172.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.3 t70 -112.43 139.71 47.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.388 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' ILE . 7.9 p-10 -76.21 -47.11 25.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 64.6 pttt -73.95 -26.12 60.32 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.614 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 4.6 mmtm -65.77 -43.78 87.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.219 173.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.072 0.463 . . . . 0.0 110.133 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 30' ' ' LYS . 83.1 mt -58.27 -48.45 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.441 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 48.9 mt-10 -56.54 -45.45 81.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.642 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' A' ' 76' ' ' TYR . 22.0 m-85 -56.17 -44.43 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.153 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -67.94 -42.67 80.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.971 0.415 . . . . 0.0 110.875 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -62.02 -36.81 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.376 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 19.0 mm-40 -59.25 -35.95 74.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -82.64 -42.83 17.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.847 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 95.6 mt -58.4 -45.57 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.724 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -69.14 -25.23 64.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.695 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 p -88.71 -28.71 20.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.416 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -80.76 -32.15 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.941 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.749 174.102 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 33' ' ' ILE . 48.4 t -108.77 107.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 0.0 111.691 -173.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 p -111.42 -164.64 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -76.63 -3.99 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.469 . . . . 0.0 110.353 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -85.36 -29.76 24.2 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.09 -49.89 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.228 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 t -101.75 109.94 21.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -118.76 132.24 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.605 -173.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -72.8 113.72 10.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.0 m -105.48 -62.79 1.31 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.4 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -143.35 179.98 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.296 0.57 . . . . 0.0 111.55 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 m -139.38 160.13 40.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.4 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.43 176.9 11.55 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.477 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -57.5 141.15 48.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.34 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -113.56 108.41 51.94 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.499 -176.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 68' ' ' ILE . 28.9 Cg_endo -64.67 150.52 88.06 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.388 2.059 . . . . 0.0 111.362 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.08 -25.94 61.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.576 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.8 m -82.28 -23.63 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.36 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 64' ' ' PRO . 34.9 mm -58.71 -52.86 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.257 176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.24 -31.95 71.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.657 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -46.67 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.107 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 24' ' ' THR . 62.0 mt -71.02 -38.04 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.366 0.603 . . . . 0.0 110.06 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -60.35 -33.53 72.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.922 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -88.06 -53.57 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -97.51 -17.3 19.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -171.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.24 -20.74 46.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.595 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' PHE . 42.1 p90 -154.26 147.88 25.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 69.5 t80 -115.5 113.89 24.27 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -85.91 98.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.242 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -84.33 98.75 10.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -70.4 100.29 1.73 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.83 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 111.977 -174.719 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 63' ' ' ALA . 5.3 pt -138.71 136.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.762 175.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 24' ' ' THR . 15.7 m170 -83.71 117.69 23.39 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -93.27 111.09 24.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.062 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 85.5 m-85 -108.81 99.72 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.95 88.87 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 28.1 m -83.87 118.25 23.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -170.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.87 107.66 19.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.248 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.6 t -107.5 115.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.166 0.508 . . . . 0.0 110.14 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.66 102.2 12.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.331 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.152 -179.304 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.347 0.594 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.445 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 78.0 mtp -80.64 90.37 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.861 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.759 ' HA ' ' O ' ' A' ' 8' ' ' THR . 12.4 p80 -105.63 130.06 53.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 110.133 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.4 166.92 23.43 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.079 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 13.0 m-20 -95.96 107.96 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 110.492 -175.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.6 t -84.91 98.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 68.9 m-85 -84.16 107.44 16.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.407 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 9.5 t -151.49 146.79 26.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -113.66 8.7 17.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.424 0.63 . . . . 0.0 109.962 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.45 111.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -76.04 76.57 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.679 -175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.615 ' OD2' ' HG2' ' A' ' 31' ' ' LYS . 51.9 t0 -149.56 114.1 5.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.96 -35.32 68.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.703 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 13.7 pttp -87.54 -13.69 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.102 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.615 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 25.6 mmtm -67.01 -36.78 82.91 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.62 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.004 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.16 -48.27 55.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.717 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 45.3 mt-10 -62.72 -40.55 97.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.53 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.94 -38.42 86.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.308 . . . . 0.0 110.778 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HE2' ' HB ' ' A' ' 50' ' ' VAL . 70.0 mmtt -57.45 -37.31 72.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.73 -49.99 75.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.973 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.19 -39.11 89.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.23 -41.15 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -64.1 -31.04 72.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 0.0 110.642 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -69.42 -45.59 68.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.765 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 pt -78.52 -23.44 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.575 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.726 176.542 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 11.0 m . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.491 ' HB ' ' HE2' ' A' ' 37' ' ' LYS . 40.1 t -130.03 96.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.478 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.2 p -109.86 -167.0 1.14 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -68.42 -9.44 48.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.62 -32.5 18.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 49' ' ' THR . 4.9 mp0 -80.74 -46.82 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.3 t -101.19 90.31 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -106.89 154.27 21.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.24 0.543 . . . . 0.0 111.625 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -79.01 105.82 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.405 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.73 -59.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.825 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.33 179.59 0.78 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 23.8 m -118.97 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.619 172.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -134.4 -175.53 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -77.99 135.05 37.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.057 0.456 . . . . 0.0 110.866 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -86.06 118.44 70.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.411 -173.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.72 149.38 78.79 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.422 2.082 . . . . 0.0 110.599 170.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' HG12 ' A' ' 68' ' ' ILE . 3.6 m-20 -64.23 -11.46 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.53 -37.08 82.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.7 m -95.86 -10.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 65' ' ' ASP . 44.9 mm -59.97 -56.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.614 0.245 . . . . 0.0 110.704 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.22 -43.53 67.32 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.59 -50.81 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.902 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' O ' ' HA2' ' A' ' 75' ' ' GLY . 63.1 mt -71.24 -32.87 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.097 0.475 . . . . 0.0 111.04 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 35.4 ttpt -72.47 -40.68 66.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.157 0.503 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -86.02 -60.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.627 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.36 -28.7 19.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.46 -6.43 57.6 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.257 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -155.82 153.55 29.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.823 0.344 . . . . 0.0 111.02 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 84.0 t80 -138.75 112.23 8.19 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.63 112.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 110.238 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 81.3 t80 -96.12 117.32 30.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 173.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -73.16 82.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.88 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.1 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.197 -177.383 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 63' ' ' ALA . 4.4 pt -83.26 128.48 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.201 0.524 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -90.23 107.41 19.12 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -87.04 112.32 22.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.149 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 52.3 m-85 -93.17 113.0 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.422 0.629 . . . . 0.0 110.841 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.692 ' HB2' ' HB2' ' A' ' 58' ' ' CYS . 22.6 t70 -74.38 96.09 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.5 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 m -107.23 123.69 48.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.134 0.493 . . . . 0.0 112.15 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -105.7 115.51 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.473 171.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.51 111.48 35.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.989 0.423 . . . . 0.0 110.076 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -82.67 80.89 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.302 -176.532 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.834 177.632 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.231 0.086 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.1 mtm -84.53 128.26 34.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.337 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -113.32 127.68 56.22 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.669 ' HA ' ' HG3' ' A' ' 81' ' ' MET . 38.8 p90 -153.5 160.91 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.672 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.486 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 40.6 m-20 -95.86 117.92 31.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.575 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.9 t -94.54 102.8 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 72.7 m-85 -92.8 114.99 27.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.348 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -142.39 154.57 44.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.958 0.408 . . . . 0.0 110.649 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.58 -13.2 40.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.87 109.21 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.458 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -86.06 85.58 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 13.9 t70 -136.54 128.34 29.13 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.79 -38.92 76.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.922 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -83.99 -40.21 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.612 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.596 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 68.5 mmtt -65.67 -35.75 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.18 77.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 0.0 110.36 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.745 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 8.8 tp10 -55.56 -50.03 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.731 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -41.17 97.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.88 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -77.0 -23.56 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.689 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 22.5 mt-30 -62.5 -40.94 98.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -66.74 -44.07 82.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.074 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.75 -41.01 81.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.173 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -70.9 -24.62 62.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.99 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 m -81.17 -29.02 34.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.099 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.5 pt -94.17 0.1 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.152 176.552 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.6 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.98 111.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.0 p -105.21 -169.06 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -72.31 -11.31 60.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.331 0.586 . . . . 0.0 110.224 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -82.86 -34.05 26.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HG3' ' HE3' ' A' ' 11' ' ' LYS . 7.6 mp0 -77.84 -46.26 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.9 t -93.99 91.58 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 29.8 mtp180 -88.33 168.06 13.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.805 -175.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -100.65 112.18 24.53 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 24.5 t -79.95 -66.02 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.199 -176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -174.12 -178.76 1.53 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.694 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 m -130.11 130.84 45.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.376 175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -144.87 170.8 15.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.886 0.374 . . . . 0.0 111.111 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -70.66 124.32 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.791 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.637 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.77 135.66 55.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.447 -172.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' ILE . 60.1 Cg_endo -75.33 149.38 35.32 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.553 2.169 . . . . 0.0 111.151 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 24.3 t70 -55.2 -27.29 44.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.868 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.39 -40.88 62.63 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.79 -11.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.506 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 46.5 mm -61.79 -49.1 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.089 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.7 -28.39 68.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.728 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.49 -54.65 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.213 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.57 -33.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.197 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -74.51 -12.99 60.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.052 0.453 . . . . 0.0 110.647 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -97.58 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -88.49 -46.32 9.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.438 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.18 -6.88 8.7 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.111 -1.042 . . . . 0.0 113.431 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -151.56 126.18 9.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.307 0.554 . . . . 0.0 111.225 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 65.2 t80 -108.09 115.18 29.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.74 111.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.124 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.486 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.8 t80 -103.04 107.38 18.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -72.38 100.5 2.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.669 ' HG3' ' HA ' ' A' ' 20' ' ' PHE . 67.0 mtp . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.447 0.642 . . . . 0.0 109.652 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.613 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.4 pt -82.54 104.08 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.241 0.543 . . . . 0.0 111.435 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -72.61 107.25 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 20.0 t -85.04 120.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 123.365 0.416 . . . . 0.0 110.271 -175.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.562 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 96.9 m-85 -113.7 106.52 14.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.625 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 56' ' ' ARG . 4.9 m-20 -71.89 90.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 21.6 m -94.34 115.68 27.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -100.8 98.36 8.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.803 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 40' ' ' LEU . 41.5 t -99.57 113.86 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.0 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpm? -85.6 124.78 32.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.557 -177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.735 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.143 0.497 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.05 100.73 11.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.961 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.1 p80 -111.49 116.3 30.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.064 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -132.31 156.8 45.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.452 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 6.4 m-20 -84.82 112.79 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.1 t -96.31 113.83 31.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.965 175.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 79.2 m-85 -104.52 119.72 39.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -137.07 148.0 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -92.04 -30.9 15.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.17 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 31' ' ' LYS . 47.3 t -61.04 124.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.155 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.4 80.81 5.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.881 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 15.8 t70 -160.89 134.02 6.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.26 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -76.87 -38.79 53.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.981 0.419 . . . . 0.0 110.414 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -64.25 -43.94 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.4 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HG3' HG11 ' A' ' 26' ' ' VAL . 36.8 mmtm -57.05 -42.61 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.4 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.15 -43.13 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.61 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 3.5 tp10 -53.82 -52.99 58.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.425 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.8 -39.72 83.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.008 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.64 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.85 -33.14 74.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.895 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 25.5 mt-30 -60.08 -38.27 82.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 0.0 110.298 174.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -71.22 -45.84 62.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.252 0.549 . . . . 0.0 109.998 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 HG21 ' A' ' 10' ' ' VAL . 49.5 mt -63.65 -32.0 73.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -77.53 -29.6 52.44 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.044 -0.41 . . . . 0.0 110.544 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.8 m -66.59 -38.37 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.81 -3.32 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.874 0.369 . . . . 0.0 111.096 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.471 175.787 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.678 0.275 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.5 t -122.7 109.46 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -164.09 0.91 Allowed 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 m -70.21 -5.64 28.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 0.0 110.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 -49.35 8.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.252 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -71.19 -36.62 72.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 14.3 t -92.27 97.61 10.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 96.4 mtt180 -87.63 113.69 23.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.699 -174.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -78.21 116.56 18.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.525 ' SG ' ' HB ' ' A' ' 5' ' ' VAL . 6.6 p -99.35 -57.92 2.05 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -162.61 179.27 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.0 111.752 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 m -134.0 120.88 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.003 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.04 168.09 17.26 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.417 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.04 114.14 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.657 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -70.42 144.72 92.14 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.751 -171.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 67' ' ' VAL . 24.2 Cg_exo -63.92 143.65 86.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.691 2.261 . . . . 0.0 110.715 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.96 -25.75 67.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.974 0.416 . . . . 0.0 111.479 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 64' ' ' PRO . 22.1 m -81.41 -12.78 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.25 -175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 64' ' ' PRO . 45.5 mm -60.88 -48.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -23.67 61.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.0 -51.64 15.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.094 0.474 . . . . 0.0 110.367 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.19 -26.67 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.152 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 34.6 ttpt -57.67 -39.86 78.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.406 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -91.04 -42.36 10.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.802 -173.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -85.11 -33.84 22.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.958 0.409 . . . . 0.0 111.322 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.59 -6.2 70.62 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -160.29 170.05 21.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.995 -0.602 . . . . 0.0 109.503 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.8 t80 -146.69 125.24 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.3 111.72 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 69.0 t80 -91.16 119.72 31.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.9 87.52 0.72 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.1 ttm . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.44 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 63' ' ' ALA . 3.3 pt -109.21 126.82 66.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.408 0.623 . . . . 0.0 110.973 176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -89.48 106.57 18.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.635 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.71 103.24 7.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.368 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -94.89 105.12 17.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.016 0.436 . . . . 0.0 110.886 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.807 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 48.7 t0 -71.3 103.7 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.216 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 11.9 m -103.51 102.32 12.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 48.1 m-85 -83.86 106.9 15.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 95.1 t -107.49 109.25 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.405 0.622 . . . . 0.0 109.754 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -78.6 101.06 7.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.041 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.698 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.381 0.61 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.503 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 65.9 mmm -84.18 101.45 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -101.16 102.51 13.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.62 0.724 . . . . 0.0 110.002 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 46.0 p90 -117.87 140.9 49.05 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -96.24 118.82 33.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.9 t -85.4 101.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.739 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 95.4 m-85 -84.07 115.64 22.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.786 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.405 HG23 HG12 ' A' ' 22' ' ' VAL . 12.5 p -132.07 145.51 51.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.9 -23.63 22.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.559 0.695 . . . . 0.0 109.48 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.3 143.44 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.869 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -99.69 36.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 111.21 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.96 120.3 41.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.454 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.94 -44.62 60.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.79 -173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -75.32 -27.13 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.573 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -57.93 -46.92 84.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.419 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.51 83.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.621 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 55' ' ' CYS . 67.8 mt -63.85 -45.96 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.594 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.88 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.87 -40.59 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 110.437 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.49 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.601 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.65 -31.23 71.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.12 -36.92 82.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.24 0.543 . . . . 0.0 109.546 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -67.62 -40.84 84.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.868 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.97 -28.7 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 t -74.87 -36.94 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -80.44 -22.6 40.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.1 pt -87.32 -7.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.691 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.939 176.485 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -114.37 120.95 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.686 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.1 p -132.67 -161.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.02 176.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -69.58 -11.27 60.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -44.2 16.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 36.1 mp0 -73.95 -46.99 40.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.923 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.7 t -100.72 109.53 21.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -117.31 167.73 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -100.64 120.6 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.084 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.807 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 63.1 m -79.91 -69.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.995 0.426 . . . . 0.0 110.181 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -174.01 -179.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.7 m -109.24 129.07 55.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.458 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.95 173.75 11.23 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.668 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -79.72 126.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.288 0.566 . . . . 0.0 110.113 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.23 138.06 56.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.826 -170.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 Cg_exo -71.77 149.01 53.6 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.877 2.385 . . . . 0.0 110.664 168.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 68' ' ' ILE . 7.6 p-10 -57.12 -31.18 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.25 -39.33 94.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.3 m -82.43 -25.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.617 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' ASP . 95.8 mt -66.02 -52.0 53.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.985 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.48 -22.12 61.11 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.022 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.45 53.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.58 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 67' ' ' VAL . 82.6 mt -69.46 -38.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.37 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.62 -25.22 68.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.13 0.491 . . . . 0.0 110.732 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -84.77 -53.07 5.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.65 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -98.13 -20.44 17.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.32 -25.75 27.03 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.829 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -149.59 152.12 34.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 69.8 t80 -123.76 112.76 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.204 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.27 98.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.058 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 73.9 t80 -97.33 103.26 15.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.474 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 3.8 mppt? -67.44 102.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -170.794 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.905 0.384 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.683 ' O ' ' HA ' ' A' ' 60' ' ' SER . 12.4 pt -121.7 154.46 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.65 108.31 20.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 23' ' ' PHE . 82.6 t -89.61 112.44 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.147 0.498 . . . . 0.0 110.975 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -103.28 101.13 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.013 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 56' ' ' ARG . 9.8 t0 -67.69 104.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.142 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -102.76 125.27 49.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 0.0 111.813 -172.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -103.74 85.24 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 75.1 t -92.02 89.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.686 0.755 . . . . 0.0 109.41 176.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 37.1 ttpt -83.04 112.32 19.68 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.103 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 48.7 t . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.618 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 74.3 mmm -71.68 88.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -97.24 114.65 26.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.001 0.429 . . . . 0.0 110.026 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.11 152.15 36.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.525 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 39.0 m-20 -96.08 119.86 35.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.988 0.423 . . . . 0.0 110.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 24' ' ' THR . 61.6 t -91.02 108.23 19.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.938 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 20.6 m-85 -90.52 117.03 28.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.729 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 22' ' ' VAL . 22.6 p -131.43 163.04 28.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.9 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -107.19 -4.46 18.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.299 0.571 . . . . 0.0 109.856 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 28' ' ' ASP . 43.2 t -78.59 146.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.102 -175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -98.84 22.09 10.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.5 t70 -121.47 122.91 40.8 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' HG13 ' A' ' 33' ' ' ILE . 3.4 m-20 -61.48 -47.48 85.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.578 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -66.95 -35.95 81.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.672 -175.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.43 -48.33 79.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 175.348 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.12 95.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 29' ' ' ASP . 78.6 mt -58.17 -49.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.277 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 73.4 mm-40 -62.51 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.393 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.44 -45.29 93.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.633 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.38 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.054 0.454 . . . . 0.0 110.172 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 10.4 mtpm? -62.94 -43.56 98.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.68 -34.01 76.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.756 0.313 . . . . 0.0 110.794 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 43' ' ' ILE . 52.4 t90 -65.29 -42.9 92.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 43' ' ' ILE . 96.9 mt -64.29 -39.82 94.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.795 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 m -60.02 -44.21 94.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 111.388 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -73.85 -26.18 60.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.98 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' TRP . 23.2 pt -91.83 -30.17 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.476 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.166 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.64 177.59 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 51' ' ' THR . 30.6 m . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 121.096 0.474 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -80.68 103.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.382 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 49' ' ' THR . 69.8 p -112.76 -174.27 2.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.79 177.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 p -70.89 1.12 5.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 111.09 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.51 -29.27 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.22 -26.35 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.566 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 28.9 p -105.03 111.76 24.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.338 0.59 . . . . 0.0 110.608 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 26.9 ttp180 -97.18 100.31 11.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -69.05 111.63 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.0 m -76.71 -67.38 0.71 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.1 p80 177.64 -164.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.41 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 11.5 t -112.35 123.62 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -125.03 175.96 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.04 122.69 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.899 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 3' ' ' ILE . . . -107.82 153.24 41.69 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.036 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' ILE . 6.7 Cg_exo -74.11 146.63 36.92 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.627 2.218 . . . . 0.0 110.96 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -21.36 61.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -55.26 -47.3 75.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.133 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 71' ' ' ILE . 30.6 m -88.62 -18.38 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.366 -175.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 63' ' ' ALA . 43.6 mm -60.04 -48.83 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.52 -34.2 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.78 82.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 67' ' ' VAL . 64.7 mt -67.55 -32.53 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.254 0.55 . . . . 0.0 110.354 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -72.27 -34.24 68.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -83.65 -56.42 3.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.562 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -81.54 -33.28 31.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.11 -13.25 40.74 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.71 159.51 24.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.322 -0.439 . . . . 0.0 109.986 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 64.3 t80 -126.8 126.06 42.75 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 172.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.69 102.41 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.983 0.421 . . . . 0.0 110.489 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 78.7 t80 -85.07 92.56 8.39 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.04 98.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -177.782 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.559 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -93.42 121.88 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.284 0.564 . . . . 0.0 111.913 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.01 113.34 22.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.788 171.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.7 t -83.57 111.1 19.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -102.89 115.41 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.687 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.764 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.1 t70 -78.69 94.18 5.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 19.3 m -95.61 112.23 23.99 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.668 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -108.23 104.73 14.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.433 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -109.91 112.95 42.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.089 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -84.73 103.27 13.67 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.811 -173.728 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.09 0.472 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.1 mmm -87.52 97.66 10.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.423 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.684 ' HA ' ' O ' ' A' ' 8' ' ' THR . 8.2 p80 -126.48 120.45 29.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.678 0.752 . . . . 0.0 111.264 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.14 164.02 32.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.922 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 9.7 m-20 -95.83 114.59 26.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.461 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 24' ' ' THR . 48.7 t -91.82 105.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.004 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 44.8 m-85 -87.75 112.69 22.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 HG12 ' A' ' 22' ' ' VAL . 19.1 p -118.85 121.95 41.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.496 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 9.9 t70 -81.12 -29.71 34.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.412 0.625 . . . . 0.0 109.619 172.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.58 114.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.083 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 27' ' ' ARG . 13.5 ttp180 -79.89 88.48 5.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.666 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 10.1 t70 -161.48 135.5 6.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.822 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.52 -26.47 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.666 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 25.1 pttm -90.45 -31.16 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.127 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 27.7 mmmt -61.22 -42.91 99.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.48 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 55' ' ' CYS . 88.6 mt -61.0 -48.7 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.742 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 25.3 mm-40 -65.08 -37.11 86.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.791 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -57.97 -43.73 86.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.622 0.248 . . . . 0.0 111.069 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.88 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 110.514 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.59 -33.82 76.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.342 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 79.4 mt-30 -58.22 -35.33 71.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -74.21 -37.92 63.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.243 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.62 -37.78 82.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 t -67.65 -39.47 84.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.03 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -70.03 -39.24 75.89 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.416 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.6 pt -75.94 -22.58 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.019 0.437 . . . . 0.0 110.636 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.411 173.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.8 0.333 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 33' ' ' ILE . 75.5 t -106.58 99.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -114.78 -173.04 2.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.763 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.418 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 8.9 m -66.21 -13.56 60.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 0.0 110.826 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.96 -25.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.29 -42.19 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.183 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 33' ' ' ILE . 15.4 p -98.73 96.01 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.7 ptt180 -100.23 145.69 27.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.514 -178.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -83.28 134.02 34.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.121 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.4 m -100.96 -70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -163.57 177.56 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.926 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -123.53 130.55 52.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.106 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -138.87 174.0 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.073 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -68.97 122.87 19.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.596 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -87.13 129.24 52.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.042 -177.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' O ' HG12 ' A' ' 68' ' ' ILE . 51.1 Cg_exo -54.96 142.87 75.04 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.481 2.121 . . . . 0.0 111.103 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.92 -21.79 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 111.293 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.51 -51.96 60.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.802 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.9 m -71.65 -20.68 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.449 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 63' ' ' ALA . 44.2 mm -58.95 -44.87 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.139 0.495 . . . . 0.0 110.105 175.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 37.1 tt0 -70.85 -33.26 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.67 78.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.04 -33.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.0 ttmm -50.71 -39.54 51.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.188 0.518 . . . . 0.0 111.023 174.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -87.81 -47.27 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.256 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -96.44 -29.48 13.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -171.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.82 -6.55 62.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -159.62 166.49 30.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 85.3 t80 -136.67 126.66 25.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.98 101.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 36.1 t80 -84.25 110.09 18.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -76.88 89.27 3.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 42.1 ttm . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.105 0.478 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 63' ' ' ALA . 6.5 pt -96.07 124.54 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -89.61 122.51 32.81 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -94.6 110.38 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.88 0.738 . . . . 0.0 111.149 -172.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -108.9 98.28 7.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.16 105.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -96.58 116.8 29.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 18' ' ' MET . 83.6 m-85 -100.83 110.96 23.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.944 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 97.5 t -107.74 114.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.248 0.547 . . . . 0.0 110.062 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -75.95 84.19 2.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.972 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.879 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 9' ' ' TYR . 58.2 mtt -79.6 127.44 32.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' A' ' 81' ' ' MET . 16.3 t-160 -119.3 110.58 17.15 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 169.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -136.95 145.92 44.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -96.26 119.91 35.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 111.019 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.98 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.956 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 27.8 m-85 -91.57 123.56 35.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.111 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -151.39 155.39 38.55 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.628 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -11.74 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.509 178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.65 100.26 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.572 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -86.0 63.52 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.594 0.711 . . . . 0.0 111.02 -176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 1.1 m-20 -112.96 122.05 46.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.298 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.53 -36.61 78.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.465 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.4 -41.48 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 63.6 mmtt -66.04 -38.22 87.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.258 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -49.65 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.155 0.502 . . . . 0.0 110.473 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG22 ' HE2' ' A' ' 37' ' ' LYS . 85.1 mt -64.82 -43.06 96.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.779 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.6 tt0 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.663 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.94 -38.85 92.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.64 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HE2' HG22 ' A' ' 33' ' ' ILE . 57.6 mtmt -70.97 -29.52 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.4 mm100 -64.86 -45.8 84.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.0 110.071 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -65.04 -45.01 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.386 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' ILE . 84.1 mt -58.5 -37.95 76.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -62.51 -44.56 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.8 m -65.72 -44.94 84.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.738 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 40' ' ' LEU . 44.7 pt -74.49 -9.44 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.857 176.276 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.524 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 23.8 t -82.55 118.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.411 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 80.6 p -134.31 -170.18 2.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.236 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -67.87 -13.69 62.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -81.99 -34.15 29.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.254 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG3' ' HA ' ' A' ' 50' ' ' VAL . 8.2 mm-40 -82.62 -49.02 10.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.914 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.1 p -93.5 128.74 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.682 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -119.64 120.29 36.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.704 0.288 . . . . 0.0 110.814 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.3 106.42 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.0 m -90.67 -57.69 2.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.837 -176.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -159.31 179.9 8.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.369 0.604 . . . . 0.0 111.883 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 m -132.31 146.86 52.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.527 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.91 166.85 27.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.751 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 147.97 43.9 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -117.96 131.36 24.19 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.262 -168.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' HG22 ' A' ' 67' ' ' VAL . 25.1 Cg_exo -63.16 139.67 73.76 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.537 2.158 . . . . 0.0 110.702 171.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.96 -26.9 67.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.992 0.425 . . . . 0.0 110.765 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.09 -46.16 85.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.604 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 64' ' ' PRO . 18.2 m -77.15 -27.66 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.191 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 63' ' ' ALA . 45.6 mm -62.11 -37.51 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 5.6 tp10 -53.71 -38.42 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.54 22.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 67' ' ' VAL . 78.7 mt -61.42 -40.08 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.491 -177.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 69' ' ' GLU . 48.3 mtmt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.882 0.372 . . . . 0.0 111.659 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -90.48 -48.19 7.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.666 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -81.42 -32.9 32.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 111.368 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.41 -11.5 68.7 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -156.84 159.73 38.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 77.3 t80 -128.86 109.59 11.4 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -82.21 97.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.473 . . . . 0.0 110.427 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -79.31 98.66 6.77 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.01 96.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.708 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.0 ttm . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.573 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.347 0.594 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 23' ' ' PHE . 11.7 pt -78.62 130.42 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.847 -173.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.484 ' HA ' ' HE1' ' A' ' 57' ' ' PHE . 18.6 m170 -82.14 108.17 15.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' NE2' ' A' ' 59' ' ' HIS . 14.7 t -97.87 112.56 30.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.518 -173.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 86.3 m-85 -101.73 88.34 3.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.807 174.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.686 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 21.9 t0 -71.99 99.4 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 17.6 m -88.05 114.29 24.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.927 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -84.46 87.3 7.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.322 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 40' ' ' LEU . 58.0 t -90.71 107.33 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.51 101.72 3.63 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.381 -173.924 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.095 0.474 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 63.6 mmm -96.2 90.54 5.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.988 175.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' HA ' ' O ' ' A' ' 8' ' ' THR . 6.0 p80 -110.41 150.14 29.25 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' ASP . 34.3 p90 -155.31 157.84 37.81 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.683 -172.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 6.3 m-20 -96.0 108.02 20.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.189 0.519 . . . . 0.0 110.354 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.5 t -81.16 103.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.566 174.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 3' ' ' ILE . 23.7 m-85 -91.47 118.47 30.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.8 t -148.66 142.3 25.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.433 171.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -88.08 -16.5 33.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.441 0.639 . . . . 0.0 109.714 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.12 139.71 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.071 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -97.52 87.94 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -162.91 105.63 1.04 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.573 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.067 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -70.68 -33.19 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.396 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -69.01 -39.15 79.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.444 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.98 97.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 0.0 110.063 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 50' ' ' VAL . 83.4 mt -58.83 -42.5 85.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.374 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 10.2 tp10 -55.78 -49.48 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.442 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.56 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.13 81.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.515 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 10.4 mtmp? -64.71 -33.2 75.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 49.0 mt-30 -72.15 -29.87 64.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.66 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -76.52 -43.77 37.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.227 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 10' ' ' VAL . 85.9 mt -63.43 -33.65 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.668 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -74.07 -29.77 62.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 0.0 110.783 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -75.01 -36.11 61.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.36 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.0 pt -80.72 -17.53 12.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.579 175.073 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 33' ' ' ILE . 15.9 t -70.49 99.4 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.541 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -140.13 -168.66 2.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.007 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -67.72 0.67 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 0.0 111.334 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.56 -50.44 8.8 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 120.918 0.389 . . . . 0.0 110.608 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -94.06 -32.22 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.0 t -104.45 106.93 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 95.6 mtt180 -130.09 164.13 25.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' HE1' ' HA ' ' A' ' 4' ' ' HIS . 75.6 t80 -84.71 99.27 10.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 83.4 m -86.88 -43.88 12.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.119 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' NE2' HG11 ' A' ' 5' ' ' VAL . 2.2 p80 -154.11 164.8 37.91 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.71 0.767 . . . . 0.0 112.689 -177.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m -109.51 118.33 36.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.899 -1.501 . . . . 0.0 107.285 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HB3' HD11 ' A' ' 3' ' ' ILE . 16.9 tp10 -118.11 147.05 43.67 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.798 -169.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -77.61 103.71 7.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -72.37 123.32 89.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.996 -174.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 68' ' ' ILE . 48.7 Cg_endo -70.58 159.41 52.88 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.446 2.098 . . . . 0.0 111.378 172.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.15 -33.39 62.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.768 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.27 -53.7 52.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.719 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -74.81 -24.41 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.042 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.9 mm -57.61 -46.9 86.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.058 0.456 . . . . 0.0 109.781 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.51 -48.68 80.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.656 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.17 89.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.805 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 23' ' ' PHE . 81.9 mt -68.77 -39.41 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.99 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.47 -30.76 71.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.792 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.49 -49.61 9.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.842 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -95.46 -27.61 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -172.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.99 30.22 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -155.76 156.64 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.529 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 76.7 t80 -132.79 119.47 20.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.4 mm -90.46 108.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -104.47 113.57 27.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -79.16 108.59 12.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.616 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.8 ttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 109.902 179.265 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.984 0.421 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.8 pt -88.88 133.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.269 0.557 . . . . 0.0 110.965 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -90.17 106.84 18.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.65 105.19 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.73 104.58 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.61 96.86 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -93.15 124.21 36.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.227 0.537 . . . . 0.0 112.146 -167.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.46 102.19 12.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.575 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.464 HG23 HG22 ' A' ' 8' ' ' THR . 94.7 t -115.88 109.12 27.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 61.8 tttm -90.15 126.1 35.68 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.858 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.464 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 15.4 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mtp -79.89 113.34 17.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.215 0.531 . . . . 0.0 110.031 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.15 102.7 12.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.04 178.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -136.79 133.45 35.98 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.86 0.362 . . . . 0.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -95.96 129.43 43.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.486 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 24' ' ' THR . 41.7 t -99.53 115.18 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.578 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 83.4 m-85 -88.07 115.51 25.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.976 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 HG12 ' A' ' 22' ' ' VAL . 31.8 p -126.01 148.27 49.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.114 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -93.03 -42.56 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.29 126.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.273 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -74.91 88.28 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.989 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -168.26 136.66 2.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.087 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -90.13 -32.34 16.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 25.8 ttpp -64.6 -44.28 91.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 35' ' ' PHE . 15.4 ttmm -66.34 -27.61 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.26 99.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 109.741 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG12 ' SG ' ' A' ' 55' ' ' CYS . 66.2 mt -61.99 -44.75 99.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.142 175.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 42.0 mt-10 -56.98 -47.38 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.503 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CE2' ' HG2' ' A' ' 31' ' ' LYS . 18.7 m-85 -64.97 -42.09 94.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.964 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.87 -48.11 83.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' ' 33' ' ' ILE . 56.6 mtmt -66.65 -39.36 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.313 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 79.5 mt-30 -59.82 -45.51 92.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.437 177.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -64.38 -45.85 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.62 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.3 mt -58.39 -43.23 88.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.649 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -65.15 -33.92 77.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.627 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t -68.92 -40.77 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.2 pt -86.91 -9.47 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.167 175.638 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -119.03 105.04 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.697 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -111.72 -174.89 2.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 173.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.447 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 36.3 t -68.06 -5.03 15.41 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.83 -40.95 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.38 -37.06 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.3 p -93.14 93.48 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 0.0 109.808 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -101.8 123.5 45.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.592 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 92.6 t80 -78.07 105.49 9.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.703 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 78.6 m -83.94 -52.53 6.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.094 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -159.15 177.19 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.356 0.598 . . . . 0.0 111.46 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.592 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 9.2 t -139.47 131.37 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.642 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.27 177.57 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.19 125.76 28.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.66 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -75.92 139.75 69.91 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.454 -173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 40.8 Cg_exo -57.54 145.73 87.45 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.674 2.249 . . . . 0.0 110.492 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' A' ' 68' ' ' ILE . 20.5 t70 -62.95 -32.64 74.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -166.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -80.5 -27.66 37.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.051 -0.406 . . . . 0.0 111.588 -175.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.4 m -76.4 -24.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.127 0.489 . . . . 0.0 110.295 -177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 65' ' ' ASP . 94.6 mt -62.85 -50.14 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.335 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.39 -32.66 71.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 0.0 110.217 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.855 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 67' ' ' VAL . 79.3 mt -71.61 -27.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 0.0 110.827 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 74.4 mmtt -74.2 -36.42 63.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.178 0.513 . . . . 0.0 110.419 176.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -77.77 -52.58 8.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -86.76 -23.25 25.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.47 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.32 -28.3 14.68 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -156.09 152.21 27.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 56.3 t80 -119.72 119.27 33.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -103.28 116.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -103.33 125.78 50.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -83.7 95.33 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 -176.252 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 60' ' ' SER . 20.2 pt -108.77 132.66 56.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.115 0.483 . . . . 0.0 111.027 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.628 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 19.3 m-70 -95.29 109.08 21.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.49 108.83 18.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.549 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 36.3 m-85 -101.76 99.84 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.864 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -72.29 107.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 15.2 m -97.66 104.82 16.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -83.26 102.29 11.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.64 113.34 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.248 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -74.04 96.39 2.68 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.281 -174.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.405 0.622 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 27.7 ttt -86.42 90.62 8.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.061 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.554 ' HA ' ' O ' ' A' ' 8' ' ' THR . 2.8 p80 -114.31 135.5 54.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.8 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -132.48 169.23 16.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 -173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -95.76 112.88 24.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.458 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.9 t -90.63 99.55 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 73.5 m-85 -86.52 108.38 18.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.142 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.664 ' HB ' HG12 ' A' ' 26' ' ' VAL . 23.2 p -127.76 138.11 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -100.77 -10.14 21.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' A' ' 24' ' ' THR . 12.5 p -59.14 -28.27 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.259 -178.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HG3' ' CE1' ' A' ' 4' ' ' HIS . 9.3 ttm180 69.05 22.84 6.76 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.68 175.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.1 t70 -115.27 120.98 41.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.044 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.51 -47.59 81.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -175.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -66.86 -38.43 86.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.952 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 tppt? -66.61 -40.75 88.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.8 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 72.6 mt -66.16 -38.01 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.69 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.19 -41.77 89.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.733 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 17.1 m-85 -68.57 -37.4 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.52 99.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.19 -49.82 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.61 -20.96 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.624 0.249 . . . . 0.0 111.353 -177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -77.9 -39.94 41.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.34 -43.25 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -70.34 -23.07 62.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 t -72.32 -36.4 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -92.14 -19.48 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 111.6 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.24 175.195 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 32.2 t -82.37 106.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.176 0.512 . . . . 0.0 111.141 -173.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -116.18 -175.19 2.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.283 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 m -68.99 -10.64 58.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.688 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -78.6 -31.58 47.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.074 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.28 -48.67 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.811 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 46.1 t -94.87 97.49 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -107.53 118.37 36.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.139 0.495 . . . . 0.0 111.735 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 65.6 t80 -58.62 122.31 13.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.171 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.97 -56.98 2.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -164.33 167.3 19.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 111.876 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 15.7 m -123.27 131.37 53.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.022 174.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -158.12 -168.09 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.708 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -71.82 151.79 43.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.466 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -130.81 145.52 58.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.396 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.597 ' O ' HG12 ' A' ' 68' ' ' ILE . 33.3 Cg_endo -65.31 153.68 77.14 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.877 2.384 . . . . 0.0 112.4 176.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.89 -41.14 44.99 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.78 -55.03 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.958 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.6 m -69.39 -26.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.246 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.1 mm -53.54 -57.53 5.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.856 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.509 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.91 -48.81 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 67' ' ' VAL . 86.8 mt -64.24 -37.67 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.595 0.236 . . . . 0.0 111.102 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HE2' HG22 ' A' ' 68' ' ' ILE . 54.9 mtmt -70.14 -17.87 63.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -99.76 -49.4 4.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 0.0 110.541 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -81.04 -26.94 35.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.77 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.17 42.24 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.531 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -163.66 154.81 16.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.0 t80 -127.73 126.88 42.66 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.89 113.51 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 110.786 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -109.77 122.4 47.4 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -75.37 107.0 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.326 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.62 0.248 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.9 pt -93.64 124.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.356 0.598 . . . . 0.0 110.906 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -83.07 106.59 15.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.56 106.41 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 123.449 0.468 . . . . 0.0 111.272 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -104.56 98.22 8.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.56 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.51 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.1 t70 -72.09 106.81 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.777 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 14.5 m -110.63 102.57 11.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.133 0.492 . . . . 0.0 111.526 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.99 92.62 6.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.47 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 87.6 t -87.1 106.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -77.51 94.72 4.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.446 178.068 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.233 0.188 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.47 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 97.3 mmm -71.9 110.01 6.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.416 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.39 102.81 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.443 ' HA ' ' H ' ' A' ' 81' ' ' MET . 42.7 p90 -158.78 156.47 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.21 152.68 47.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.264 0.554 . . . . 0.0 110.623 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -107.42 115.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.848 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 60.3 m-85 -91.35 113.48 25.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.1 t -131.82 150.75 52.06 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.566 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -86.52 -20.21 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.594 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 28' ' ' ASP . 95.5 t -63.17 141.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.345 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -102.38 23.55 11.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.315 0.578 . . . . 0.0 110.308 -174.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.5 t70 -118.18 120.84 38.93 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.361 -175.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.79 -35.66 81.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.96 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.03 -37.05 72.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.764 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 63.0 mmtt -65.81 -37.43 86.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.189 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.32 94.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.063 0.459 . . . . 0.0 110.006 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG12 ' SG ' ' A' ' 55' ' ' CYS . 77.2 mt -61.11 -43.72 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.453 174.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 36.4 tt0 -56.91 -51.44 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.785 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.61 -40.73 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.91 -43.02 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 0.0 110.236 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.48 -37.73 88.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.517 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.1 mt-30 -56.24 -38.14 70.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -76.71 -38.63 53.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.13 0.49 . . . . 0.0 110.161 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 43' ' ' ILE . 95.7 mt -65.05 -30.18 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -67.27 -36.22 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -69.55 -40.29 76.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 40' ' ' LEU . 32.0 pt -86.75 -10.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.985 0.421 . . . . 0.0 111.003 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.199 176.847 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.14 97.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.517 0.675 . . . . 0.0 110.14 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 53' ' ' GLU . 7.0 t -131.43 179.13 6.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.456 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -48.46 -25.79 1.82 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.44 1.096 . . . . 0.0 113.053 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' H ' HG23 ' A' ' 51' ' ' THR . 29.0 tt0 -78.82 -35.57 43.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -93.4 -28.67 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.923 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.8 p -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 171.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -92.73 124.99 37.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.146 -173.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -74.26 123.98 25.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.303 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 59.4 m -87.77 -63.9 1.23 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.705 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -175.78 -177.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.942 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m -119.53 125.7 49.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.522 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.07 177.48 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -66.59 144.65 56.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -94.14 126.48 48.52 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.39 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 67' ' ' VAL . 33.1 Cg_exo -61.6 129.41 27.82 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.156 1.904 . . . . 0.0 110.114 170.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 68' ' ' ILE . 33.9 t70 -55.45 -30.1 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.913 0.387 . . . . 0.0 111.506 -174.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.77 -22.11 63.75 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.336 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.5 m -103.42 -12.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 111.34 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 65' ' ' ASP . 61.8 mt -76.69 -36.58 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -167.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.35 -39.41 92.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.04 93.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.02 -34.03 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.9 -36.84 84.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -85.05 -44.7 12.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -94.82 -31.72 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.65 -6.98 63.1 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.46 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -155.4 151.48 27.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.664 0.269 . . . . 0.0 110.505 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.4 t80 -124.3 110.59 14.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.5 mm -83.81 99.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.977 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 81' ' ' MET . 91.0 t80 -85.72 110.73 19.53 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.675 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -76.91 93.37 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 48.4 ttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.63 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.545 HG23 ' HB2' ' A' ' 63' ' ' ALA . 10.3 pt -95.75 127.47 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.233 0.54 . . . . 0.0 111.36 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 11.3 m-70 -81.24 112.76 18.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.467 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.65 103.13 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 98.3 m-85 -105.84 88.41 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.52 173.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 8.2 p-10 -79.63 120.26 23.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 121.599 0.714 . . . . 0.0 109.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 6.1 m -101.79 134.23 45.29 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.079 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -104.38 84.35 2.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.204 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.572 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 48.9 t -89.6 119.26 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 12.0 mptt -82.43 95.67 7.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.364 -175.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.572 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 90.6 mmm -79.92 90.75 5.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.3 t-160 -98.44 101.12 12.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.656 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.64 149.9 46.62 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.962 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 5.8 m-20 -96.0 116.07 28.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.369 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 HG23 ' A' ' 24' ' ' THR . 47.0 t -87.96 98.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 41.9 m-85 -84.06 116.4 22.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.743 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.457 HG23 HG12 ' A' ' 22' ' ' VAL . 9.0 p -129.35 140.8 51.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.617 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.08 -35.4 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -60.45 119.87 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.57 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.825 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -94.51 36.63 1.15 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.411 0.624 . . . . 0.0 110.974 -173.127 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -102.46 154.31 19.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.946 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -86.32 -46.71 10.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -71.28 -39.8 71.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.774 -174.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -59.79 -40.0 86.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.66 84.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 83.6 mt -62.95 -37.99 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.685 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 40.0 tt0 -64.33 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.41 -36.98 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.09 91.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.171 0.51 . . . . 0.0 110.564 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 34' ' ' GLU . 8.3 mtmp? -73.63 -26.78 60.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.158 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 87.3 mm-40 -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -66.01 -37.66 86.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.362 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.7 -37.78 87.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.479 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -66.07 -38.12 87.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -59.98 -45.53 92.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.925 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -79.15 -11.54 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.246 0 C-N-CA 120.426 -0.893 . . . . 0.0 113.739 174.157 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.112 0.482 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 51.2 t -104.03 108.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.349 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.6 p -106.58 -172.5 2.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.799 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -83.16 -8.53 59.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -85.64 -39.91 16.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.446 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -74.95 -46.59 34.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.407 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 15.6 t -95.44 95.73 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -97.36 135.46 39.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.61 -167.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -92.76 107.22 19.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.04 -65.6 0.98 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.725 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -166.41 -178.39 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.769 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.8 m -115.67 113.22 23.22 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -118.91 -177.0 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.39 . . . . 0.0 111.515 -173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 62' ' ' LYS . 2.8 mptp? -69.75 142.19 53.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.269 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -110.36 116.36 53.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.561 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.58 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.6 Cg_exo -74.24 157.47 45.93 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.739 2.293 . . . . 0.0 111.019 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 29.3 t70 -55.06 -24.27 24.2 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 111.721 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -49.09 -48.99 43.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.07 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.83 -21.46 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.2 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.9 mm -54.29 -59.87 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -30.91 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -53.83 9.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.739 0.304 . . . . 0.0 111.149 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.68 -33.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -71.97 -24.77 61.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.151 0.5 . . . . 0.0 111.177 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -85.26 -57.64 3.0 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -97.23 -40.29 8.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.568 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.51 -30.97 2.64 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.101 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -145.93 168.73 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.904 0.352 . . . . 0.0 111.18 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.7 t80 -132.01 119.99 21.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 110.332 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.3 mm -94.86 102.84 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.671 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 82.0 t80 -85.04 112.71 20.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.344 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.34 98.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.68 172.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.448 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 46.3 ttm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.548 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 63' ' ' ALA . 43.0 pt -110.37 149.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.713 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.655 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 9.2 m170 -89.57 121.74 32.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.86 176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.79 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 95.7 m-85 -109.59 104.31 13.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.184 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.66 107.4 4.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -106.66 120.7 42.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 111.829 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -86.84 102.23 14.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.367 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -107.88 109.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.479 . . . . 0.0 110.101 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -83.87 105.0 14.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.463 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.373 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 73.5 mtp -79.84 116.61 20.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.53 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -102.73 116.91 33.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 45.3 p90 -144.96 149.86 35.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -96.06 113.39 25.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.596 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -83.61 103.01 10.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 42.4 m-85 -83.7 107.37 16.09 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -122.71 145.57 48.27 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.768 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 71' ' ' ILE . 5.3 t70 -79.69 -42.0 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 0.0 110.557 175.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 28' ' ' ASP . 8.8 t -64.77 142.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.544 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 55.1 mtm180 -98.05 23.21 8.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.97 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 26' ' ' VAL . 4.3 m-20 -104.54 121.81 44.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.229 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -61.03 -39.62 90.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -59.13 -38.25 79.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 40.9 tptt -74.96 -39.49 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.55 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 109.966 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.474 HG22 ' HE2' ' A' ' 37' ' ' LYS . 83.0 mt -59.68 -43.45 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.393 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.34 -46.1 91.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.072 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 13.0 m-85 -61.0 -41.13 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.805 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.69 -43.76 95.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 33' ' ' ILE . 53.2 mtmt -70.56 -34.29 72.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.391 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.027 0.441 . . . . 0.0 109.966 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -68.86 -43.83 74.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.981 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.7 mt -59.35 -40.45 86.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.4 m -62.35 -36.23 81.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.691 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -71.16 -39.01 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.816 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 40' ' ' LEU . 39.6 pt -80.87 -8.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.403 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.73 173.433 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.91 96.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.171 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -125.4 -168.09 1.78 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.058 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -56.54 -25.42 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.27 0.356 . . . . 0.0 111.758 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.66 -43.97 44.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.273 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -76.37 -33.52 58.92 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.61 114.6 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.218 0.532 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -102.09 126.29 49.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -79.27 107.87 12.35 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 60.0 m -73.91 -60.03 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 178.01 -178.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.253 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 19.7 m -122.25 120.92 35.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -135.68 170.7 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.828 0.347 . . . . 0.0 111.544 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.84 128.45 35.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.987 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -98.41 152.27 37.87 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.508 -176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' HG12 ' A' ' 68' ' ' ILE . 31.4 Cg_exo -59.57 142.47 98.9 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.443 2.096 . . . . 0.0 110.782 172.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.38 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.962 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.38 -48.55 81.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.607 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 71' ' ' ILE . 21.0 m -79.04 -13.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.746 0.308 . . . . 0.0 111.131 -175.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.4 mm -62.0 -33.4 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -45.54 94.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.672 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.17 89.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.992 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 67' ' ' VAL . 46.4 mm -67.16 -36.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 0.0 110.807 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.96 -30.88 56.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.99 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -83.5 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.392 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.11 -24.34 18.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.25 -8.4 58.91 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -156.76 160.34 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 82.9 t80 -137.41 123.69 20.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.583 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.5 mm -94.13 108.03 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -111.34 116.01 30.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.02 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 55.7 mtmt -80.26 131.81 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.949 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 34.6 ttm . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.459 -176.697 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.436 ' HB ' ' HD1' ' A' ' 23' ' ' PHE . 12.1 pt -70.72 123.64 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.664 . . . . 0.0 111.875 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -94.04 113.85 25.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 23' ' ' PHE . 27.1 t -87.22 108.33 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.878 -175.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 86.8 m-85 -107.43 92.81 4.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 12.2 t70 -69.55 105.73 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -107.24 122.11 45.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.132 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 74.8 m-85 -85.58 126.85 34.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.392 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HD21 ' A' ' 40' ' ' LEU . 60.7 t -120.79 111.8 33.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -78.84 107.18 11.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.163 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.929 0.395 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtm -102.91 142.16 34.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.05 137.89 31.39 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -136.61 169.22 18.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.598 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 11.3 m-20 -95.69 111.76 23.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.4 t -87.77 105.13 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 93.3 m-85 -94.46 113.15 24.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.582 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -140.48 157.62 45.24 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.223 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.96 -15.14 25.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.227 0.537 . . . . 0.0 110.069 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.67 131.12 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -98.14 81.75 2.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -168.76 132.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.052 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.38 -33.13 32.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.74 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -67.92 -44.73 76.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -65.38 -33.84 76.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.236 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.95 83.66 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.439 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.15 -40.87 79.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.206 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 tt0 -59.13 -47.04 86.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.755 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -59.19 -43.4 92.22 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.74 -44.19 93.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.998 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.18 -34.72 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.6 mm100 -57.7 -46.47 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.719 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -65.08 -40.43 94.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.258 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 91.6 mt -64.75 -44.3 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.335 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 m -61.96 -34.58 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.996 0.427 . . . . 0.0 110.425 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -71.66 -45.57 61.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -72.12 -23.45 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.12 176.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.25 101.87 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.147 0.498 . . . . 0.0 109.822 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 p -121.41 -168.08 1.62 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.139 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 m -69.79 -7.04 36.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -82.56 -42.85 17.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.149 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 12.5 mm-40 -89.82 -42.95 10.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.072 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.91 109.07 21.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -125.46 147.45 49.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.416 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 78.2 t80 -87.26 112.82 22.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 72.8 m -91.22 -48.19 7.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.816 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -169.15 172.84 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.392 0.615 . . . . 0.0 110.761 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 12.9 t -144.46 139.13 28.13 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.888 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -162.59 178.25 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.298 -169.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -54.02 110.81 0.64 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 124.034 0.834 . . . . 0.0 111.082 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -79.85 129.73 69.67 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.919 -177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 67' ' ' VAL . 31.8 Cg_exo -59.54 144.38 99.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.504 2.136 . . . . 0.0 110.889 171.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.701 0.286 . . . . 0.0 111.756 -174.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.32 -34.41 76.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' PRO . 14.6 m -73.9 -18.79 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.683 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' HE3' ' A' ' 72' ' ' LYS . 45.4 mm -62.36 -38.4 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.084 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 10.3 tp10 -60.12 -44.4 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.08 93.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.939 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 67' ' ' VAL . 63.3 mt -66.75 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HE3' HG22 ' A' ' 68' ' ' ILE . 99.4 mttt -67.73 -55.41 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.14 0.495 . . . . 0.0 110.637 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 70.2 mm-40 -69.59 -50.33 45.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.154 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.96 -19.01 19.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.316 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.74 -13.32 67.04 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.303 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -161.54 142.37 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.439 . . . . 0.0 110.141 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 65.0 t80 -106.28 115.88 30.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 176.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.8 mm -90.09 109.79 21.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 43.3 t80 -96.4 106.41 18.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.31 99.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.262 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.9 ttm . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.405 176.214 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -101.35 116.7 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.084 0.469 . . . . 0.0 110.415 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 63' ' ' ALA . 14.4 pt -81.84 123.98 38.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -89.61 110.78 21.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.32 104.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.642 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -100.91 99.2 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.728 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.9 t70 -67.58 111.85 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.695 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 m -109.45 129.39 55.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 97.9 m-85 -100.27 111.83 24.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.457 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.594 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 54.2 t -118.93 109.57 27.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.238 0.542 . . . . 0.0 109.544 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.7 104.71 14.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.763 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.41 154.61 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -69.61 -67.15 0.5 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.575 -174.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -118.91 -11.7 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.494 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.87 -77.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.477 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -178.03 145.44 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.7 114.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 81.8 mmm -79.49 90.65 5.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.856 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 7.7 t-160 -99.21 95.18 6.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.949 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 51.0 p90 -131.55 150.79 52.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.925 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.38 136.28 45.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.473 0.654 . . . . 0.0 110.436 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 47.0 t -97.67 114.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.238 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 71' ' ' ILE . 76.0 m-85 -84.29 111.85 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -140.05 161.26 38.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.257 0.551 . . . . 0.0 111.195 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.01 -16.13 25.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.829 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 28' ' ' ASP . 30.1 t -75.25 143.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -103.81 22.36 14.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.035 0.445 . . . . 0.0 111.356 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.614 ' H ' HG12 ' A' ' 26' ' ' VAL . 33.4 t70 -104.42 122.53 45.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.135 -176.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -36.17 83.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.246 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 30' ' ' LYS . 6.3 ttpm? -63.67 -43.9 95.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.265 176.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 57.8 mmtt -60.69 -38.14 83.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.195 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.64 87.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.291 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 62.7 mt -62.07 -49.15 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.412 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 32.5 tt0 -59.59 -48.33 82.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.466 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.95 -39.01 93.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.744 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.52 -43.28 94.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.667 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 58.9 mtpt -66.93 -41.91 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.202 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 53.3 mt-30 -60.41 -39.51 87.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 109.998 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -67.59 -43.2 81.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.789 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.1 mt -59.37 -47.3 85.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.986 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.458 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 44.9 m -63.21 -29.37 70.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 177.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -71.16 -51.35 25.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.611 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 45' ' ' GLU . 35.3 pt -77.63 -26.53 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.05 0.28 24.04 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.041 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' H ' HG13 ' A' ' 43' ' ' ILE . 38.6 mt-10 -99.68 46.04 0.98 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.459 0.647 . . . . 0.0 109.974 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 30.3 tt0 -75.87 -12.56 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.366 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.94 65.08 3.29 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.492 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.17 154.12 28.78 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 122.469 0.308 . . . . 0.0 110.391 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.2 m -104.22 120.86 42.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.385 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.99 110.11 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 110.507 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 p -108.9 -174.05 2.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.335 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 61.7 m -65.43 -19.0 65.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.652 175.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.89 -29.86 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.763 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 6.4 mm-40 -82.35 -32.36 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.439 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 31.2 p -85.2 131.32 34.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 62.3 ttt180 -139.43 143.41 37.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.951 -175.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -110.58 122.04 46.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 76.6 m -84.35 -67.6 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.795 0.331 . . . . 0.0 110.516 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -177.18 -179.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -118.14 130.42 56.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.374 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.52 178.88 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.502 0.191 . . . . 0.0 111.029 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -64.34 148.35 50.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.529 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -118.07 124.72 28.47 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.883 -173.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.509 ' O ' HG12 ' A' ' 68' ' ' ILE . 22.7 Cg_exo -66.19 155.56 69.16 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.947 2.431 . . . . 0.0 111.553 173.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.21 -37.0 61.62 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.812 0.445 . . . . 0.0 111.633 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -54.69 -55.18 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.979 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 m -71.51 -24.87 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.235 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 64' ' ' PRO . 50.0 mm -57.53 -50.2 77.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.205 0.526 . . . . 0.0 109.853 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -46.11 83.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.969 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 23' ' ' PHE . 57.9 mt -70.99 -31.36 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.09 -34.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -91.1 -46.27 8.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.162 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -96.39 -17.79 20.38 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.67 -29.06 10.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.137 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -157.59 158.26 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -139.58 122.63 16.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.388 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.3 mp -97.27 130.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 91.5 t80 -108.6 133.27 52.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.139 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -76.2 87.73 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.7 ttm -67.43 -65.26 0.71 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -99.78 154.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.736 177.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.9 12.08 66.78 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.39 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 p -82.74 -43.03 17.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.314 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.09 178.764 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 121.141 0.496 . . . . 0.0 109.762 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.74 145.3 48.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.979 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 67' ' ' VAL . 10.9 pt -80.09 131.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 0.0 111.637 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -89.7 106.23 18.32 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.62 120.4 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.166 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' OH ' ' HA ' ' A' ' 27' ' ' ARG . 96.3 m-85 -106.67 115.38 30.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.567 0.698 . . . . 0.0 110.844 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.4 102.45 8.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.379 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 9.3 m -108.22 117.37 33.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.431 . . . . 0.0 111.501 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -101.58 108.13 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.47 174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 40' ' ' LEU . 55.1 t -107.5 109.34 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -89.45 95.19 10.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.252 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HB1' ' OE1' ' A' ' 45' ' ' GLU . . . -83.18 153.43 24.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.348 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -52.81 -67.04 0.28 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.241 0.543 . . . . 0.0 111.286 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -124.51 10.86 8.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.668 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.69 14.84 58.88 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.023 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 t60 73.74 152.2 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.109 0.535 . . . . 0.0 110.883 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.43 103.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 109.449 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 62.2 mmm -89.8 106.22 18.32 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.591 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 8' ' ' THR . 11.9 p80 -114.27 125.29 53.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 81' ' ' MET . 25.6 p90 -143.44 171.58 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.049 -173.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 81' ' ' MET . 5.1 m-20 -103.73 115.48 30.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.366 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.577 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 92.2 t -91.83 111.96 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -96.13 118.8 33.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -151.27 174.28 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -96.84 -30.29 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.511 . . . . 0.0 110.237 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.85 122.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 12.5 ptt85 -101.8 62.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.601 0.715 . . . . 0.0 110.075 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' LYS . 14.5 t70 -123.97 131.89 53.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 t70 -50.31 -64.54 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.816 0.697 . . . . 0.0 112.227 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.84 -34.94 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.798 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 21.2 tptm -60.73 -44.41 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.035 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.33 95.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.095 0.474 . . . . 0.0 111.006 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 37' ' ' LYS . 60.5 mt -64.25 -37.55 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' OE1' ' HD2' ' A' ' 37' ' ' LYS . 1.5 tp10 -65.1 -35.17 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -62.01 -42.31 99.02 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 110.436 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.99 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 33' ' ' ILE . 85.6 mttt -64.41 -33.73 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 75.3 mt-30 -58.71 -40.95 85.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -69.36 -44.62 71.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.004 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 10' ' ' VAL . 95.4 mt -61.16 -39.79 91.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.236 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -65.71 -32.59 74.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.181 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -74.21 -27.42 60.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.272 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.0 pt -98.02 -0.36 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 111.073 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.11 -21.62 39.04 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.541 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' OE1' ' HB1' ' A' ' 12' ' ' ALA . 47.4 mm-40 -82.14 28.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -172.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -81.41 73.87 8.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.7 15.09 1.4 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.856 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.53 152.23 27.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -82.29 92.16 6.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.07 104.13 15.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 110.271 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 -161.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -64.03 -21.19 66.41 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 28.7 tt0 -85.03 -17.44 37.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.316 0.579 . . . . 0.0 110.199 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -94.89 -45.53 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.624 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG12 ' A' ' 33' ' ' ILE . 41.9 t -101.73 104.55 15.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.693 176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 1.3 mpp_? -109.78 146.11 35.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.56 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -72.22 111.16 7.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 t -75.13 -63.3 1.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.039 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -179.53 177.33 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.232 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -95.61 135.71 36.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.49 158.55 44.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.001 0.429 . . . . 0.0 111.054 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -60.03 130.98 49.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.862 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -92.89 116.98 67.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.938 -173.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 67' ' ' VAL . 10.0 Cg_exo -72.33 148.23 48.7 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.884 2.389 . . . . 0.0 111.367 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -57.4 -28.09 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.411 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.76 -39.02 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.696 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 3' ' ' ILE . 12.6 m -97.44 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.531 -171.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.38 -52.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.98 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -18.43 58.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.47 -50.43 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.14 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.27 -24.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.434 0.635 . . . . 0.0 110.135 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.39 -25.65 62.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -92.58 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.069 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -99.03 -36.83 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.588 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.17 0.67 54.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.94 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -155.32 116.43 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -108.61 116.46 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.248 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.27 109.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.122 0.486 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -94.03 123.1 37.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -75.82 93.18 3.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.039 0.447 . . . . 0.0 110.401 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 41.8 ttm -53.92 -71.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.376 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -137.99 6.4 2.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.28 87.92 0.85 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.219 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -143.27 33.85 1.33 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.304 0.573 . . . . 0.0 109.512 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.211 -176.497 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttp . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.826 0.346 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -103.4 131.66 50.3 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.585 HG21 HG21 ' A' ' 67' ' ' VAL . 18.4 pt -81.77 127.5 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.448 0.642 . . . . 0.0 111.83 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -90.31 118.75 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.828 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' CE1' ' A' ' 23' ' ' PHE . 42.8 t -90.78 106.39 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 57' ' ' PHE . 88.0 m-85 -105.28 95.58 5.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.05 175.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.61 107.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 16.7 m -106.08 119.76 40.04 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.072 -174.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.653 ' HD1' ' HD2' ' A' ' 19' ' ' HIS . 24.1 m-85 -112.36 80.11 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.234 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.0 t -78.25 118.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.03 0.443 . . . . 0.0 110.04 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -92.67 92.22 7.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.337 -176.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.1 130.42 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.22 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.302 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -106.89 54.87 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.544 0.688 . . . . 0.0 110.006 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.68 -98.57 0.2 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.602 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -170.42 169.5 7.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.11 103.98 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 79.7 mtp -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.171 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.653 ' HD2' ' HD1' ' A' ' 9' ' ' TYR . 39.1 m80 -90.55 102.78 15.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.228 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HA ' ' H ' ' A' ' 81' ' ' MET . 53.2 p90 -149.65 158.05 43.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.4 128.6 47.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -97.48 102.65 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.999 0.428 . . . . 0.0 109.855 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 92.8 m-85 -87.51 116.33 25.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.007 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 p -136.11 160.5 38.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.574 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.8 -25.79 22.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.362 0.601 . . . . 0.0 109.565 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 28' ' ' ASP . 24.1 t -64.17 126.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.142 -176.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -96.87 21.03 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.954 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.68 ' H ' HG12 ' A' ' 26' ' ' VAL . 13.8 t70 -106.93 126.64 52.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.771 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.82 -30.95 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.832 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 21.7 tptm -76.03 -49.87 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.707 0.289 . . . . 0.0 110.702 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB3' HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.64 -33.78 75.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.268 -174.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.46 94.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.359 173.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.546 HG12 ' SG ' ' A' ' 55' ' ' CYS . 74.5 mt -65.35 -39.69 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 53.6 mt-10 -56.15 -47.54 78.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.752 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.98 -34.86 79.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.729 0.299 . . . . 0.0 111.033 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.34 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 0.0 110.341 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 53.3 mtpt -71.37 -27.24 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 16.3 mm100 -59.13 -42.89 91.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 109.936 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -72.04 -41.45 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.93 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -68.67 -24.07 64.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.3 m -76.77 -34.68 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.155 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.55 14.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.46 . . . . 0.0 110.959 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.04 18.62 77.91 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.289 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -92.02 -10.08 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.515 -0.403 . . . . 0.0 110.229 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 65.4 -160.83 0.27 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.586 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.28 77.5 1.71 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.073 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.49 164.4 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m -65.88 96.24 0.29 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.78 110.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 53' ' ' GLU . 8.9 t -131.26 -162.79 1.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -58.77 -16.61 17.69 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.799 0.839 . . . . 0.0 113.029 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 51' ' ' THR . 55.9 mm-40 -82.1 -30.18 31.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 8' ' ' THR . 7.1 mp0 -83.33 -51.9 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.158 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.546 ' SG ' HG12 ' A' ' 33' ' ' ILE . 12.0 p -101.42 99.09 9.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.296 0.569 . . . . 0.0 110.182 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -95.89 121.21 37.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.945 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 80.8 t80 -75.59 99.41 4.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 83.0 m -86.2 -45.88 10.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -167.68 -178.3 3.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.449 0.642 . . . . 0.0 112.032 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.4 m -129.09 145.55 51.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.649 -1.16 . . . . 0.0 107.971 170.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.75 -176.51 4.91 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.269 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 84.9 tttt -60.78 125.66 24.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.054 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.13 113.46 57.33 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.409 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 68' ' ' ILE . 16.3 Cg_exo -68.97 155.72 67.6 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.835 2.357 . . . . 0.0 111.333 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.93 -32.68 69.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.131 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.11 -52.31 61.42 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.654 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 3' ' ' ILE . 17.5 m -74.64 -25.56 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.556 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 64' ' ' PRO . 48.7 mm -61.22 -47.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.24 -50.32 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.747 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -49.88 75.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.834 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.66 -19.76 20.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 0.0 110.923 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -82.39 -27.6 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -106.18 -34.83 7.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -103.88 -26.88 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.948 0.404 . . . . 0.0 111.093 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.81 -11.88 70.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.663 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -148.56 158.11 43.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 52.9 t80 -140.6 114.01 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.471 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.22 110.24 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -98.78 114.22 26.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.13 101.04 2.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.625 0.726 . . . . 0.0 110.058 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.458 ' H ' ' HA ' ' A' ' 20' ' ' PHE . 32.4 ttm -66.79 -44.98 79.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.847 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 19' ' ' HIS . 26.3 tt0 -135.75 -57.07 0.78 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.031 -173.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.21 142.56 33.09 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.16 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.9 m -78.92 -5.37 53.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.406 -0.807 . . . . 0.0 108.864 177.117 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -78.33 110.09 13.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.8 pt -78.26 106.47 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.487 0.661 . . . . 0.0 110.256 173.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 7.0 m-70 -75.56 102.27 5.21 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.511 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.03 99.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.649 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 74.9 m-85 -96.28 101.17 12.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 0.0 110.492 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.4 t70 -74.95 107.41 7.01 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -105.46 128.87 53.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.04 0.448 . . . . 0.0 111.88 -169.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -102.55 90.16 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.233 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 60.6 t -93.19 104.23 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.131 0.491 . . . . 0.0 110.409 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.67 104.17 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.454 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.57 176.43 8.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.134 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -65.17 -59.94 3.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.939 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -143.23 -6.09 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -86.18 35.72 3.26 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.237 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 63.2 t60 74.13 150.14 0.11 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.839 0.456 . . . . 0.0 110.825 175.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.18 107.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 91.6 mmm -67.12 103.01 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.907 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 81' ' ' MET . 10.5 t-160 -103.8 103.56 13.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.734 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 49.9 p90 -142.05 161.99 36.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.473 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -113.44 141.19 47.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.331 0.586 . . . . 0.0 110.685 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 34.4 t -108.28 117.05 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.617 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 89.9 m-85 -81.85 111.82 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.183 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.411 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -133.23 156.31 47.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.427 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -99.13 -4.11 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.408 0.623 . . . . 0.0 109.612 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 28' ' ' ASP . 22.3 t -72.46 144.62 12.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.569 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 19.5 ptt-85 -98.97 16.8 21.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.303 0.573 . . . . 0.0 110.645 -176.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.569 ' H ' HG12 ' A' ' 26' ' ' VAL . 5.8 m-20 -119.58 123.47 44.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.594 -172.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.9 m-20 -66.45 -44.37 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.201 0.524 . . . . 0.0 109.804 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 27.4 tptp -64.93 -34.17 77.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.466 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 56.2 tptt -74.59 -38.36 62.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.905 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.59 90.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 29' ' ' ASP . 91.0 mt -53.36 -47.1 58.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.138 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -41.17 87.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 26' ' ' VAL . 60.0 m-85 -67.52 -41.46 84.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.627 0.251 . . . . 0.0 110.904 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.72 -42.35 97.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.548 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 52.4 mtpt -68.7 -29.78 68.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -59.9 -41.26 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.033 0.444 . . . . 0.0 110.263 174.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -68.5 -47.71 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.835 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 45' ' ' GLU . 96.3 mt -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.69 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -60.11 -28.89 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 0.0 111.33 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 m -77.91 -40.34 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.8 pt -78.45 -20.95 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.96 -22.22 2.12 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.163 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 40' ' ' LEU . 23.3 mm-40 -86.85 64.87 8.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.531 0.681 . . . . 0.0 110.914 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.35 16.43 3.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.201 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.44 77.45 0.19 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.86 151.81 50.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.901 0.381 . . . . 0.0 110.525 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -89.05 98.53 11.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.029 0.442 . . . . 0.0 111.051 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.31 99.5 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.645 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -105.93 -168.6 1.46 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.729 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 11.6 t -69.28 -2.46 10.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.221 0.534 . . . . 0.0 110.088 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -89.84 -35.04 15.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.157 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -80.94 -29.72 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.214 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 26.3 p -92.07 102.75 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.194 0.521 . . . . 0.0 110.438 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -97.84 108.31 20.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.609 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -69.72 103.8 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.8 m -80.38 -53.75 6.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.747 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -170.92 179.58 3.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.424 0.631 . . . . 0.0 111.687 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 49.9 m -140.07 112.35 7.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.563 171.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -124.29 -167.76 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.886 -173.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -61.44 117.23 5.42 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.255 0.55 . . . . 0.0 110.926 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -78.23 126.37 83.51 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.534 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.65 141.23 45.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.306 2.004 . . . . 0.0 111.161 172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.04 -21.31 61.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.653 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.35 -53.15 61.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.01 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -75.58 -22.09 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.425 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.77 -45.91 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.991 0.424 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.34 -42.21 88.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.475 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.55 79.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.27 -27.61 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -71.56 -31.17 66.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.45 -46.78 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.722 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -95.59 -28.06 15.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.67 74.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.328 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -160.47 163.26 33.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 72.9 t80 -146.72 106.62 3.98 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.299 175.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.2 mp -85.79 117.87 31.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 66.8 t80 -93.97 120.69 34.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.787 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 84' ' ' CYS . 93.6 mttt -72.58 96.91 2.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 48.7 ttm -79.48 -81.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -127.53 152.05 48.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.718 0.294 . . . . 0.0 110.737 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.5 51.71 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.986 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 80' ' ' LYS . 36.3 m -109.36 112.47 24.62 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.943 179.438 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HE2' HD13 ' A' ' 68' ' ' ILE . 66.0 ttp . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.709 0.29 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -109.09 115.59 30.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.412 HG23 ' HB2' ' A' ' 63' ' ' ALA . 27.0 pt -79.6 128.12 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.209 0.528 . . . . 0.0 110.994 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -92.1 114.75 27.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.16 112.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 69.4 m-85 -110.67 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.368 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -92.4 102.46 14.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -98.27 123.51 42.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.054 0.454 . . . . 0.0 111.36 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -91.31 86.05 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.702 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.25 102.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.988 0.423 . . . . 0.0 109.913 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 5.8 mptt -78.48 93.3 4.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.4 150.4 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.989 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 10.5 ptmm? -65.06 -7.65 12.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.678 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.13 -33.61 76.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.233 0.54 . . . . 0.0 110.213 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.28 -41.36 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.374 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -82.86 148.78 27.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG13 ' HG3' ' A' ' 11' ' ' LYS . 21.3 t -83.22 110.6 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.575 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttp -80.2 119.67 23.28 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.219 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 36.4 m80 -109.65 126.88 54.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.14 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HA ' ' H ' ' A' ' 81' ' ' MET . 33.9 p90 -146.73 146.84 30.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.572 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 18.5 m-20 -84.55 115.77 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.558 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 43.2 t -91.75 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 65.0 m-85 -84.62 114.97 22.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.072 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 22' ' ' VAL . 18.8 p -120.25 151.36 39.27 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.978 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 1' ' ' MET . 2.5 t70 -90.61 -42.57 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.315 175.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.81 138.74 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.751 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -88.29 36.44 0.78 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.075 0.464 . . . . 0.0 110.916 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.86 133.53 54.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.329 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.8 -29.46 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 34.1 ttpt -78.05 -43.97 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 110.204 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HZ3' ' HZ ' ' A' ' 35' ' ' PHE . 56.4 tttm -61.74 -31.74 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.963 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . . . -66.77 -34.33 77.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.546 176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 51' ' ' THR . 67.6 mt -63.29 -45.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.346 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -55.75 -41.35 73.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 176.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 22.6 m-85 -58.85 -46.77 86.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.761 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.59 -42.08 95.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.983 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 8.9 mtpm? -65.63 -36.13 82.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.242 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 55.7 mt-30 -62.38 -42.07 99.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.65 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -68.08 -38.93 82.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 68.3 mt -60.3 -40.42 90.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.636 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 m -63.36 -34.58 78.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.613 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 m -66.68 -47.29 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -79.7 -24.95 12.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.698 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.84 38.85 3.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.221 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' OE1' ' HG2' ' A' ' 13' ' ' LYS . 13.1 tp10 -128.5 30.32 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.591 0.71 . . . . 0.0 109.633 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.85 83.86 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.698 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.34 -46.11 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.92 119.69 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.994 -0.603 . . . . 0.0 110.579 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 m -75.24 94.29 2.96 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.29 120.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.03 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.496 ' HA ' HD13 ' A' ' 33' ' ' ILE . 11.9 t -145.02 -168.8 3.03 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.778 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -51.3 -41.19 60.32 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.929 0.891 . . . . 0.0 112.685 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 51' ' ' THR . 36.8 tt0 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 111.048 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.06 -48.26 9.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.011 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 6.9 t -93.85 92.63 7.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.15 125.54 35.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.907 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -72.19 126.02 28.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.461 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.6 m -100.01 -73.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.89 176.76 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.653 0.74 . . . . 0.0 111.93 -173.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -123.39 107.23 11.39 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' OE2' ' HG2' ' A' ' 62' ' ' LYS . 10.7 tp10 -117.95 163.36 16.69 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.902 0.382 . . . . 0.0 111.11 -164.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' ' OE2' ' A' ' 61' ' ' GLU . 17.5 pttm -59.38 132.23 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.74 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -88.54 120.06 70.23 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.572 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.75 146.86 96.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.026 2.484 . . . . 0.0 111.549 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.3 -38.84 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.995 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.75 -48.9 77.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 m -70.86 -17.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.488 HD13 ' HE2' ' A' ' 1' ' ' MET . 42.0 mm -53.44 -60.35 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.463 0.649 . . . . 0.0 110.603 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 38.0 mt-10 -71.15 -35.85 71.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.812 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.57 93.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.251 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -37.09 78.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.804 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -61.94 -34.71 76.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.834 0.349 . . . . 0.0 111.783 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 30.6 mm-40 -73.92 -40.5 63.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.062 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -109.99 -24.54 10.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 -9.14 56.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -158.94 168.84 25.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.469 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 91.1 t80 -136.57 124.05 22.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.564 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.6 mm -96.22 107.41 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.981 0.42 . . . . 0.0 110.635 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.6 t80 -105.82 117.92 35.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.506 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -76.12 92.2 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 111.001 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.422 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 26.8 ttm -63.87 -50.78 67.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.21 175.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 19' ' ' HIS . 52.8 tt0 -151.21 78.38 1.28 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.747 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.65 36.56 0.47 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.428 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.8 t -110.28 -2.04 16.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.546 0.689 . . . . 0.0 109.364 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.567 -179.339 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 68' ' ' ILE . 27.9 ttt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.47 123.85 36.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 63' ' ' ALA . 23.2 pt -78.59 122.24 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.473 0.654 . . . . 0.0 111.224 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 27' ' ' ARG . 12.6 m170 -89.74 128.36 36.1 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.773 172.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 23' ' ' PHE . 52.3 t -94.29 103.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.335 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -97.57 102.22 13.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.227 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' CG ' ' HE2' ' A' ' 19' ' ' HIS . 10.9 t70 -69.82 112.76 6.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.073 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -112.27 116.48 30.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.073 0.463 . . . . 0.0 111.838 -173.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -96.37 109.12 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.954 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -107.92 109.54 28.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 110.108 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -87.36 80.88 8.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.885 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB3' ' H ' ' A' ' 16' ' ' HIS . . . -84.2 108.9 17.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.842 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.63 -31.46 46.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 0.0 110.299 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.89 -103.64 0.18 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.421 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 p-80 -164.01 151.35 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.894 -0.18 . . . . 0.0 110.768 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.4 104.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.707 ' SD ' ' HG3' ' A' ' 45' ' ' GLU . 69.6 mtp -85.78 131.75 34.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 -175.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.703 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 26.8 t-80 -125.15 99.54 6.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.391 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.96 147.46 52.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -96.19 120.13 35.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 110.994 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -88.05 110.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.014 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 23.0 m-85 -94.29 118.75 32.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.19 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.49 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.0 t -151.49 157.69 42.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.29 174.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -83.12 -19.22 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 28' ' ' ASP . 64.1 t -57.87 126.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.422 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 67.6 mtm-85 -98.06 23.38 8.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.986 -172.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.3 t70 -112.43 139.71 47.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.388 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' ILE . 7.9 p-10 -76.21 -47.11 25.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 64.6 pttt -73.95 -26.12 60.32 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.614 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 4.6 mmtm -65.77 -43.78 87.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.219 173.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.072 0.463 . . . . 0.0 110.133 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 30' ' ' LYS . 83.1 mt -58.27 -48.45 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.441 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 48.9 mt-10 -56.54 -45.45 81.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.642 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' A' ' 76' ' ' TYR . 22.0 m-85 -56.17 -44.43 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.153 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -67.94 -42.67 80.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.971 0.415 . . . . 0.0 110.875 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -62.02 -36.81 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.376 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 19.0 mm-40 -59.25 -35.95 74.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -82.64 -42.83 17.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.847 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 95.6 mt -58.4 -45.57 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.724 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -69.14 -25.23 64.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.695 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 p -88.71 -28.71 20.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.416 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 45' ' ' GLU . 31.1 pt -80.76 -32.15 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.941 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.13 3.5 27.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.749 174.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.707 ' HG3' ' SD ' ' A' ' 18' ' ' MET . 22.1 mm-40 -78.94 58.39 2.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.624 0.726 . . . . 0.0 109.889 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.13 159.8 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.819 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.43 -16.46 9.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.18 142.39 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.976 0.417 . . . . 0.0 111.199 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 125.78 49.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.371 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 33' ' ' ILE . 48.4 t -108.77 107.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 0.0 111.691 -173.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 p -111.42 -164.64 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -76.63 -3.99 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.469 . . . . 0.0 110.353 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -85.36 -29.76 24.2 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.09 -49.89 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.228 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 t -101.75 109.94 21.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -118.76 132.24 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.605 -173.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -72.8 113.72 10.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.0 m -105.48 -62.79 1.31 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.4 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -143.35 179.98 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.296 0.57 . . . . 0.0 111.55 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 m -139.38 160.13 40.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.4 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.43 176.9 11.55 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.477 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -57.5 141.15 48.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.34 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -113.56 108.41 51.94 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.499 -176.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 68' ' ' ILE . 28.9 Cg_endo -64.67 150.52 88.06 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.388 2.059 . . . . 0.0 111.362 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.08 -25.94 61.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.576 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.8 m -82.28 -23.63 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.36 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 64' ' ' PRO . 34.9 mm -58.71 -52.86 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.257 176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.24 -31.95 71.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.657 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -46.67 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.107 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 24' ' ' THR . 62.0 mt -71.02 -38.04 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.366 0.603 . . . . 0.0 110.06 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -60.35 -33.53 72.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.922 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -88.06 -53.57 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -97.51 -17.3 19.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -171.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.24 -20.74 46.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.595 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' PHE . 42.1 p90 -154.26 147.88 25.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 69.5 t80 -115.5 113.89 24.27 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -85.91 98.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.242 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -84.33 98.75 10.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -70.4 100.29 1.73 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.83 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtm -92.42 -61.97 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 111.977 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 19' ' ' HIS . 4.3 tp10 -112.23 134.35 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.895 -173.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.8 8.9 50.79 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.897 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.4 t -179.86 127.66 0.08 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.593 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.2 t30 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.404 -0.807 . . . . 0.0 109.496 173.599 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -101.81 159.47 15.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 63' ' ' ALA . 5.3 pt -138.71 136.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.762 175.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 24' ' ' THR . 15.7 m170 -83.71 117.69 23.39 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -93.27 111.09 24.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.062 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 85.5 m-85 -108.81 99.72 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.95 88.87 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 28.1 m -83.87 118.25 23.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -170.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.87 107.66 19.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.248 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.6 t -107.5 115.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.166 0.508 . . . . 0.0 110.14 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.66 102.2 12.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.331 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.7 158.8 33.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.152 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -68.91 -29.1 67.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.955 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.39 -27.49 64.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.28 61.48 0.53 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.841 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -148.56 141.35 24.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.7 t -93.68 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.347 0.594 . . . . 0.0 110.215 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.445 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 78.0 mtp -80.64 90.37 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.861 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.759 ' HA ' ' O ' ' A' ' 8' ' ' THR . 12.4 p80 -105.63 130.06 53.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 110.133 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.4 166.92 23.43 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.079 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 13.0 m-20 -95.96 107.96 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 110.492 -175.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.6 t -84.91 98.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 68.9 m-85 -84.16 107.44 16.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.407 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 9.5 t -151.49 146.79 26.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -113.66 8.7 17.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.424 0.63 . . . . 0.0 109.962 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.45 111.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -76.04 76.57 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.679 -175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.615 ' OD2' ' HG2' ' A' ' 31' ' ' LYS . 51.9 t0 -149.56 114.1 5.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.96 -35.32 68.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.703 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 13.7 pttp -87.54 -13.69 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.102 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.615 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 25.6 mmtm -67.01 -36.78 82.91 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.62 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.004 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.16 -48.27 55.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.717 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 45.3 mt-10 -62.72 -40.55 97.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.53 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.94 -38.42 86.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.308 . . . . 0.0 110.778 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HE2' ' HB ' ' A' ' 50' ' ' VAL . 70.0 mmtt -57.45 -37.31 72.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.73 -49.99 75.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.973 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.19 -39.11 89.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 89.7 mt -62.23 -41.15 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 48.8 m -64.1 -31.04 72.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 0.0 110.642 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -69.42 -45.59 68.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.765 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 pt -78.52 -23.44 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.575 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.51 -22.12 5.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.726 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 25.0 mm-40 -84.01 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 111.074 -177.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 9.1 pt-20 -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.94 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.01 27.87 17.14 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.622 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -77.11 141.12 40.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 11.0 m -67.33 105.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.491 ' HB ' ' HE2' ' A' ' 37' ' ' LYS . 40.1 t -130.03 96.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.478 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.2 p -109.86 -167.0 1.14 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -68.42 -9.44 48.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.62 -32.5 18.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 49' ' ' THR . 4.9 mp0 -80.74 -46.82 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.3 t -101.19 90.31 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -106.89 154.27 21.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.24 0.543 . . . . 0.0 111.625 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -79.01 105.82 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.405 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.73 -59.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.825 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.33 179.59 0.78 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 23.8 m -118.97 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.619 172.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -134.4 -175.53 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -77.99 135.05 37.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.057 0.456 . . . . 0.0 110.866 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -86.06 118.44 70.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.411 -173.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.72 149.38 78.79 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.422 2.082 . . . . 0.0 110.599 170.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' HG12 ' A' ' 68' ' ' ILE . 3.6 m-20 -64.23 -11.46 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.53 -37.08 82.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.7 m -95.86 -10.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 65' ' ' ASP . 44.9 mm -59.97 -56.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.614 0.245 . . . . 0.0 110.704 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.22 -43.53 67.32 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.59 -50.81 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.902 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' O ' ' HA2' ' A' ' 75' ' ' GLY . 63.1 mt -71.24 -32.87 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.097 0.475 . . . . 0.0 111.04 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 35.4 ttpt -72.47 -40.68 66.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.157 0.503 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -86.02 -60.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.627 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.36 -28.7 19.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.46 -6.43 57.6 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.257 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -155.82 153.55 29.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.823 0.344 . . . . 0.0 111.02 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 84.0 t80 -138.75 112.23 8.19 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.63 112.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 110.238 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 81.3 t80 -96.12 117.32 30.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 173.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -73.16 82.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.88 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.1 ttm -59.93 -75.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.197 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.52 -6.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.03 81.37 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.028 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 m -107.32 -98.45 0.36 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.264 -0.874 . . . . 0.0 109.002 177.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -113.45 111.67 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.362 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 63' ' ' ALA . 4.4 pt -83.26 128.48 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.201 0.524 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -90.23 107.41 19.12 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -87.04 112.32 22.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.149 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 52.3 m-85 -93.17 113.0 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.422 0.629 . . . . 0.0 110.841 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.692 ' HB2' ' HB2' ' A' ' 58' ' ' CYS . 22.6 t70 -74.38 96.09 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.5 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 m -107.23 123.69 48.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.134 0.493 . . . . 0.0 112.15 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -105.7 115.51 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.473 171.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.51 111.48 35.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.989 0.423 . . . . 0.0 110.076 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -82.67 80.89 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.302 -176.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 127.06 33.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.834 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.1 -31.69 72.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.562 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -114.41 -21.62 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -96.1 8.22 67.37 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.281 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 60.9 t-80 71.63 156.0 0.16 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.92 0.36 . . . . 0.0 110.038 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t -65.98 100.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 71.1 mtm -84.53 128.26 34.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.337 -173.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -113.32 127.68 56.22 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.669 ' HA ' ' HG3' ' A' ' 81' ' ' MET . 38.8 p90 -153.5 160.91 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.672 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 40.6 m-20 -95.86 117.92 31.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.575 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.9 t -94.54 102.8 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 72.7 m-85 -92.8 114.99 27.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.348 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -142.39 154.57 44.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.958 0.408 . . . . 0.0 110.649 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.58 -13.2 40.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.87 109.21 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.458 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -86.06 85.58 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 13.9 t70 -136.54 128.34 29.13 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.79 -38.92 76.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.922 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -83.99 -40.21 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.612 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.596 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 68.5 mmtt -65.67 -35.75 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.18 77.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 0.0 110.36 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.745 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 8.8 tp10 -55.56 -50.03 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.731 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -41.17 97.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.88 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -77.0 -23.56 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.689 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 22.5 mt-30 -62.5 -40.94 98.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -66.74 -44.07 82.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.074 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.75 -41.01 81.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.173 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 18.9 m -70.9 -24.62 62.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.99 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 m -81.17 -29.02 34.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.099 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.5 pt -94.17 0.1 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 24.05 66.27 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.152 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.19 -75.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 41' ' ' SER . 26.6 mt-10 60.35 15.33 5.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 168.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.69 -42.18 0.89 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.63 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.17 116.18 8.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.065 0.459 . . . . 0.0 111.409 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.6 m -74.76 112.13 10.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.991 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.98 111.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.0 p -105.21 -169.06 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -72.31 -11.31 60.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.331 0.586 . . . . 0.0 110.224 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -82.86 -34.05 26.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HG3' ' HE3' ' A' ' 11' ' ' LYS . 7.6 mp0 -77.84 -46.26 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.9 t -93.99 91.58 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 29.8 mtp180 -88.33 168.06 13.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.805 -175.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -100.65 112.18 24.53 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 24.5 t -79.95 -66.02 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.199 -176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -174.12 -178.76 1.53 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.694 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 m -130.11 130.84 45.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.376 175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -144.87 170.8 15.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.886 0.374 . . . . 0.0 111.111 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -70.66 124.32 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.791 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.637 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.77 135.66 55.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.447 -172.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' ILE . 60.1 Cg_endo -75.33 149.38 35.32 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.553 2.169 . . . . 0.0 111.151 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 24.3 t70 -55.2 -27.29 44.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.868 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.39 -40.88 62.63 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.79 -11.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.506 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 46.5 mm -61.79 -49.1 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.089 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.7 -28.39 68.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.728 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.49 -54.65 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.213 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.57 -33.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.197 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -74.51 -12.99 60.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.052 0.453 . . . . 0.0 110.647 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -97.58 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -88.49 -46.32 9.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.438 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.18 -6.88 8.7 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.111 -1.042 . . . . 0.0 113.431 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -151.56 126.18 9.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.307 0.554 . . . . 0.0 111.225 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 65.2 t80 -108.09 115.18 29.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.74 111.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.124 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.486 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.8 t80 -103.04 107.38 18.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -72.38 100.5 2.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.669 ' HG3' ' HA ' ' A' ' 20' ' ' PHE . 67.0 mtp -69.24 -66.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.447 0.642 . . . . 0.0 109.652 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -161.29 118.95 2.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.42 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' A' ' 18' ' ' MET . . . -155.34 -46.47 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.732 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.16 82.35 8.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.005 0.431 . . . . 0.0 110.277 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 177.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' CE ' ' HB2' ' A' ' 25' ' ' ASP . 3.0 ppp? . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -108.26 121.1 44.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.613 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.4 pt -82.54 104.08 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.241 0.543 . . . . 0.0 111.435 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -72.61 107.25 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 20.0 t -85.04 120.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 123.365 0.416 . . . . 0.0 110.271 -175.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.562 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 96.9 m-85 -113.7 106.52 14.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.625 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 56' ' ' ARG . 4.9 m-20 -71.89 90.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 21.6 m -94.34 115.68 27.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -100.8 98.36 8.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.803 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 40' ' ' LEU . 41.5 t -99.57 113.86 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.0 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpm? -85.6 124.78 32.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.557 -177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 173.16 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -69.64 -47.41 63.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.457 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -143.35 7.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.57 -110.93 2.32 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.399 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -135.01 -172.47 3.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.624 0.249 . . . . 0.0 110.6 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.46 113.12 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.143 0.497 . . . . 0.0 110.512 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.05 100.73 11.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.961 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.1 p80 -111.49 116.3 30.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.064 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -132.31 156.8 45.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.452 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 6.4 m-20 -84.82 112.79 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.1 t -96.31 113.83 31.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.965 175.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 79.2 m-85 -104.52 119.72 39.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -137.07 148.0 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 27.6 t70 -92.04 -30.9 15.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.17 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 31' ' ' LYS . 47.3 t -61.04 124.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.155 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.4 80.81 5.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.881 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 15.8 t70 -160.89 134.02 6.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.26 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -76.87 -38.79 53.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.981 0.419 . . . . 0.0 110.414 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -64.25 -43.94 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.4 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HG3' HG11 ' A' ' 26' ' ' VAL . 36.8 mmtm -57.05 -42.61 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.4 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.15 -43.13 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.61 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 3.5 tp10 -53.82 -52.99 58.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.425 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.8 -39.72 83.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.008 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.64 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.85 -33.14 74.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.895 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 25.5 mt-30 -60.08 -38.27 82.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 0.0 110.298 174.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -71.22 -45.84 62.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.252 0.549 . . . . 0.0 109.998 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 47' ' ' GLY . 49.5 mt -63.65 -32.0 73.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -77.53 -29.6 52.44 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.044 -0.41 . . . . 0.0 110.544 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.8 m -66.59 -38.37 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.81 -3.32 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.874 0.369 . . . . 0.0 111.096 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.4 38.7 10.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.471 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 2.0 tm-20 -116.2 -36.94 3.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.964 0.382 . . . . 0.0 110.077 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 46.0 mt-10 83.13 -23.23 0.21 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.15 0.98 . . . . 0.0 110.335 -172.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' CA ' HD13 ' A' ' 40' ' ' LEU . . . 95.89 12.41 52.85 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.493 170.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.85 -151.81 0.3 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.837 0.351 . . . . 0.0 111.3 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.07 106.85 18.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.343 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' GLY . 78.5 t -122.7 109.46 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -164.09 0.91 Allowed 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 m -70.21 -5.64 28.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 0.0 110.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 -49.35 8.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.252 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -71.19 -36.62 72.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 14.3 t -92.27 97.61 10.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 96.4 mtt180 -87.63 113.69 23.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.699 -174.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -78.21 116.56 18.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.525 ' SG ' ' HB ' ' A' ' 5' ' ' VAL . 6.6 p -99.35 -57.92 2.05 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -162.61 179.27 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.0 111.752 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 m -134.0 120.88 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.003 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.04 168.09 17.26 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.417 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.04 114.14 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.657 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -70.42 144.72 92.14 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.751 -171.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 67' ' ' VAL . 24.2 Cg_exo -63.92 143.65 86.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.691 2.261 . . . . 0.0 110.715 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.96 -25.75 67.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.974 0.416 . . . . 0.0 111.479 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 64' ' ' PRO . 22.1 m -81.41 -12.78 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.25 -175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 64' ' ' PRO . 45.5 mm -60.88 -48.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -23.67 61.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.0 -51.64 15.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.094 0.474 . . . . 0.0 110.367 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.19 -26.67 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.152 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 34.6 ttpt -57.67 -39.86 78.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.406 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -91.04 -42.36 10.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.802 -173.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -85.11 -33.84 22.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.958 0.409 . . . . 0.0 111.322 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.59 -6.2 70.62 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -160.29 170.05 21.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.995 -0.602 . . . . 0.0 109.503 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.8 t80 -146.69 125.24 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.3 111.72 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 69.0 t80 -91.16 119.72 31.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.9 87.52 0.72 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.1 ttm -60.94 -64.86 0.81 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.44 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -171.63 163.74 6.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.709 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.56 19.67 77.96 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.5 m -124.11 176.39 6.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.95 178.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HE2' HG12 ' A' ' 68' ' ' ILE . 54.8 ttp . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -91.22 133.46 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 63' ' ' ALA . 3.3 pt -109.21 126.82 66.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.408 0.623 . . . . 0.0 110.973 176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -89.48 106.57 18.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.635 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.71 103.24 7.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.368 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -94.89 105.12 17.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.016 0.436 . . . . 0.0 110.886 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.807 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 48.7 t0 -71.3 103.7 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.216 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 11.9 m -103.51 102.32 12.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 48.1 m-85 -83.86 106.9 15.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 95.1 t -107.49 109.25 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.405 0.622 . . . . 0.0 109.754 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -78.6 101.06 7.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.041 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.18 144.3 55.62 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -63.43 -19.58 64.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 110.292 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -24.89 66.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.238 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.56 44.37 3.2 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -136.8 139.05 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.08 107.83 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.381 0.61 . . . . 0.0 110.806 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.503 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 65.9 mmm -84.18 101.45 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -101.16 102.51 13.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.62 0.724 . . . . 0.0 110.002 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 46.0 p90 -117.87 140.9 49.05 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -96.24 118.82 33.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.9 t -85.4 101.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.739 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 95.4 m-85 -84.07 115.64 22.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.786 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.405 HG23 HG12 ' A' ' 22' ' ' VAL . 12.5 p -132.07 145.51 51.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.9 -23.63 22.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.559 0.695 . . . . 0.0 109.48 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.3 143.44 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.869 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -99.69 36.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 111.21 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.96 120.3 41.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.454 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.94 -44.62 60.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.79 -173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -75.32 -27.13 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.573 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -57.93 -46.92 84.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.419 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.51 83.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.621 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 55' ' ' CYS . 67.8 mt -63.85 -45.96 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.594 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.88 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.87 -40.59 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 110.437 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.49 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.601 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.65 -31.23 71.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.12 -36.92 82.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.24 0.543 . . . . 0.0 109.546 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -67.62 -40.84 84.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.868 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.97 -28.7 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.543 ' HA ' ' CG ' ' A' ' 46' ' ' GLU . 12.2 t -74.87 -36.94 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -80.44 -22.6 40.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.1 pt -87.32 -7.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.691 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.21 41.43 11.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.939 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.42 -78.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' CG ' ' HA ' ' A' ' 41' ' ' SER . 41.1 mt-10 60.0 28.45 17.98 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 172.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.0 -39.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.579 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.47 122.13 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.078 0.466 . . . . 0.0 111.66 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.3 m -77.41 110.63 12.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.54 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -114.37 120.95 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.686 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.1 p -132.67 -161.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.02 176.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -69.58 -11.27 60.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -44.2 16.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 36.1 mp0 -73.95 -46.99 40.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.923 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.7 t -100.72 109.53 21.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -117.31 167.73 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -100.64 120.6 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.084 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.807 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 63.1 m -79.91 -69.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.995 0.426 . . . . 0.0 110.181 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -174.01 -179.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.7 m -109.24 129.07 55.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.458 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.95 173.75 11.23 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.668 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -79.72 126.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.288 0.566 . . . . 0.0 110.113 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.23 138.06 56.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.826 -170.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 Cg_exo -71.77 149.01 53.6 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.877 2.385 . . . . 0.0 110.664 168.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 68' ' ' ILE . 7.6 p-10 -57.12 -31.18 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.25 -39.33 94.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.3 m -82.43 -25.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.617 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' ASP . 95.8 mt -66.02 -52.0 53.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.985 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.48 -22.12 61.11 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.022 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.45 53.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.58 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 67' ' ' VAL . 82.6 mt -69.46 -38.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.37 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.62 -25.22 68.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.13 0.491 . . . . 0.0 110.732 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -84.77 -53.07 5.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.65 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -98.13 -20.44 17.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.32 -25.75 27.03 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.829 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -149.59 152.12 34.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 69.8 t80 -123.76 112.76 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.204 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.27 98.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.058 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 73.9 t80 -97.33 103.26 15.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.474 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 3.8 mppt? -67.44 102.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.409 ' SD ' ' HB2' ' A' ' 82' ' ' GLU . 13.5 tmm? -94.31 -52.58 4.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -170.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HB2' ' SD ' ' A' ' 81' ' ' MET . 6.7 tp10 -152.29 147.72 26.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.44 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.23 23.21 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.186 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 80' ' ' LYS . 62.3 m -81.76 178.68 8.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.33 . . . . 0.0 110.798 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.148 179.354 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -85.5 147.6 26.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.384 . . . . 0.0 111.107 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.683 ' O ' ' HA ' ' A' ' 60' ' ' SER . 12.4 pt -121.7 154.46 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.65 108.31 20.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 23' ' ' PHE . 82.6 t -89.61 112.44 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.147 0.498 . . . . 0.0 110.975 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -103.28 101.13 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.013 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 56' ' ' ARG . 9.8 t0 -67.69 104.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.142 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -102.76 125.27 49.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 0.0 111.813 -172.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -103.74 85.24 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 75.1 t -92.02 89.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.686 0.755 . . . . 0.0 109.41 176.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 37.1 ttpt -83.04 112.32 19.68 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.103 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.85 57.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.28 -36.46 77.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.506 -170.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -134.16 41.58 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.661 0.743 . . . . 0.0 109.868 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.47 -106.01 0.71 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.139 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -147.23 163.79 35.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 48.7 t -76.55 110.19 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.618 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 74.3 mmm -71.68 88.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -97.24 114.65 26.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.001 0.429 . . . . 0.0 110.026 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.11 152.15 36.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.525 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 39.0 m-20 -96.08 119.86 35.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.988 0.423 . . . . 0.0 110.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 24' ' ' THR . 61.6 t -91.02 108.23 19.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.938 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 20.6 m-85 -90.52 117.03 28.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.729 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 22' ' ' VAL . 22.6 p -131.43 163.04 28.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.9 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -107.19 -4.46 18.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.299 0.571 . . . . 0.0 109.856 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 28' ' ' ASP . 43.2 t -78.59 146.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.102 -175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -98.84 22.09 10.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.5 t70 -121.47 122.91 40.8 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' HG13 ' A' ' 33' ' ' ILE . 3.4 m-20 -61.48 -47.48 85.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.578 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -66.95 -35.95 81.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.672 -175.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.43 -48.33 79.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 175.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.12 95.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 29' ' ' ASP . 78.6 mt -58.17 -49.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.277 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 73.4 mm-40 -62.51 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.393 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.44 -45.29 93.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.633 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.38 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.054 0.454 . . . . 0.0 110.172 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 10.4 mtpm? -62.94 -43.56 98.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.68 -34.01 76.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.756 0.313 . . . . 0.0 110.794 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 43' ' ' ILE . 52.4 t90 -65.29 -42.9 92.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 43' ' ' ILE . 96.9 mt -64.29 -39.82 94.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.795 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 m -60.02 -44.21 94.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 111.388 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -73.85 -26.18 60.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.98 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' TRP . 23.2 pt -91.83 -30.17 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.476 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.84 12.19 28.56 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.64 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -99.81 31.22 3.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.634 0.254 . . . . 0.0 111.587 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -77.24 -171.63 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.132 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.58 -31.27 8.75 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -174.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 124.78 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 51' ' ' THR . 30.6 m -77.38 89.22 3.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.096 0.474 . . . . 0.0 110.876 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -80.68 103.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.382 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 49' ' ' THR . 69.8 p -112.76 -174.27 2.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.79 177.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 p -70.89 1.12 5.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 111.09 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.51 -29.27 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.22 -26.35 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.566 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 28.9 p -105.03 111.76 24.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.338 0.59 . . . . 0.0 110.608 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 26.9 ttp180 -97.18 100.31 11.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -69.05 111.63 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.0 m -76.71 -67.38 0.71 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.1 p80 177.64 -164.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.41 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 11.5 t -112.35 123.62 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -125.03 175.96 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.04 122.69 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.899 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 3' ' ' ILE . . . -107.82 153.24 41.69 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.036 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' ILE . 6.7 Cg_exo -74.11 146.63 36.92 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.627 2.218 . . . . 0.0 110.96 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -21.36 61.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -55.26 -47.3 75.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.133 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 71' ' ' ILE . 30.6 m -88.62 -18.38 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.366 -175.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 63' ' ' ALA . 43.6 mm -60.04 -48.83 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.52 -34.2 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.78 82.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 67' ' ' VAL . 64.7 mt -67.55 -32.53 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.254 0.55 . . . . 0.0 110.354 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -72.27 -34.24 68.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -83.65 -56.42 3.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.562 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -81.54 -33.28 31.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.11 -13.25 40.74 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.71 159.51 24.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.322 -0.439 . . . . 0.0 109.986 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 64.3 t80 -126.8 126.06 42.75 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 172.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.69 102.41 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.983 0.421 . . . . 0.0 110.489 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 78.7 t80 -85.07 92.56 8.39 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.04 98.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 52.6 ttm -69.67 -64.78 0.81 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.41 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.881 0.848 . . . . 0.0 109.643 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.81 8.76 64.81 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.946 -176.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.7 m -95.09 -0.75 53.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 0.0 111.37 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.564 -178.712 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' HG23 ' A' ' 68' ' ' ILE . 25.7 ttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 12.3 pm0 -133.24 130.66 39.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.369 -171.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -93.42 121.88 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.284 0.564 . . . . 0.0 111.913 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.01 113.34 22.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.788 171.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.7 t -83.57 111.1 19.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -102.89 115.41 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.687 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.764 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.1 t70 -78.69 94.18 5.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 19.3 m -95.61 112.23 23.99 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.668 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -108.23 104.73 14.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.433 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -109.91 112.95 42.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.089 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -84.73 103.27 13.67 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.66 170.91 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.811 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -63.64 -26.06 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.106 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.51 -12.18 50.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.94 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.99 28.21 59.04 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -169.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -114.71 139.45 49.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.506 -0.847 . . . . 0.0 109.324 -176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 t -95.34 104.19 15.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.576 -175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.1 mmm -87.52 97.66 10.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.423 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.684 ' HA ' ' O ' ' A' ' 8' ' ' THR . 8.2 p80 -126.48 120.45 29.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.678 0.752 . . . . 0.0 111.264 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.14 164.02 32.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.922 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 9.7 m-20 -95.83 114.59 26.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.461 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 24' ' ' THR . 48.7 t -91.82 105.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.004 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 44.8 m-85 -87.75 112.69 22.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 HG12 ' A' ' 22' ' ' VAL . 19.1 p -118.85 121.95 41.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.496 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 9.9 t70 -81.12 -29.71 34.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.412 0.625 . . . . 0.0 109.619 172.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.58 114.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.083 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 27' ' ' ARG . 13.5 ttp180 -79.89 88.48 5.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.666 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 10.1 t70 -161.48 135.5 6.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.822 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.52 -26.47 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.666 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 25.1 pttm -90.45 -31.16 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.127 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 27.7 mmmt -61.22 -42.91 99.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.48 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 55' ' ' CYS . 88.6 mt -61.0 -48.7 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.742 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 25.3 mm-40 -65.08 -37.11 86.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.791 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -57.97 -43.73 86.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.622 0.248 . . . . 0.0 111.069 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.88 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 110.514 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.59 -33.82 76.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.342 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 79.4 mt-30 -58.22 -35.33 71.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -74.21 -37.92 63.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.243 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.62 -37.78 82.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 33.5 t -67.65 -39.47 84.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -70.03 -39.24 75.89 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.416 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 45' ' ' GLU . 27.6 pt -75.94 -22.58 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.019 0.437 . . . . 0.0 110.636 176.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.64 -0.84 45.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.411 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' H ' HG13 ' A' ' 43' ' ' ILE . 8.2 mm-40 -87.92 11.89 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.897 0.38 . . . . 0.0 110.99 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 8.3 tp10 -60.58 148.03 39.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.385 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.01 -20.36 5.97 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.88 147.21 41.25 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -78.61 104.93 9.55 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.8 0.333 . . . . 0.0 110.734 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 33' ' ' ILE . 75.5 t -106.58 99.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -114.78 -173.04 2.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.763 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.418 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 8.9 m -66.21 -13.56 60.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 0.0 110.826 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.96 -25.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.29 -42.19 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.183 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 33' ' ' ILE . 15.4 p -98.73 96.01 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.7 ptt180 -100.23 145.69 27.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.514 -178.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -83.28 134.02 34.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.121 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.4 m -100.96 -70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -163.57 177.56 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.926 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -123.53 130.55 52.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.106 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -138.87 174.0 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.073 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -68.97 122.87 19.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.596 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -87.13 129.24 52.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.042 -177.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' O ' HG12 ' A' ' 68' ' ' ILE . 51.1 Cg_exo -54.96 142.87 75.04 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.481 2.121 . . . . 0.0 111.103 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.92 -21.79 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 111.293 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.51 -51.96 60.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.802 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.9 m -71.65 -20.68 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.449 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.594 HG23 ' SD ' ' A' ' 1' ' ' MET . 44.2 mm -58.95 -44.87 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.139 0.495 . . . . 0.0 110.105 175.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 37.1 tt0 -70.85 -33.26 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.67 78.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.04 -33.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.0 ttmm -50.71 -39.54 51.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.188 0.518 . . . . 0.0 111.023 174.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -87.81 -47.27 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.256 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -96.44 -29.48 13.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -171.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.82 -6.55 62.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -159.62 166.49 30.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 85.3 t80 -136.67 126.66 25.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.98 101.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 36.1 t80 -84.25 110.09 18.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -76.88 89.27 3.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 42.1 ttm -66.22 -59.08 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HB3' ' NE2' ' A' ' 19' ' ' HIS . 39.7 tt0 -164.3 124.11 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.041 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.44 -54.81 0.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.054 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m -60.23 -35.03 74.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.89 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.247 0.936 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.181 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.781 0.324 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -102.02 155.97 17.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.105 0.478 . . . . 0.0 111.235 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 63' ' ' ALA . 6.5 pt -96.07 124.54 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -89.61 122.51 32.81 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -94.6 110.38 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.88 0.738 . . . . 0.0 111.149 -172.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -108.9 98.28 7.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.16 105.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -96.58 116.8 29.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 18' ' ' MET . 83.6 m-85 -100.83 110.96 23.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.944 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 97.5 t -107.74 114.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.248 0.547 . . . . 0.0 110.062 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -75.95 84.19 2.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.972 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.6 95.72 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.13 -35.09 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.109 -0.951 . . . . 0.0 113.49 -174.403 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.02 -2.74 27.04 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.283 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.48 -90.76 1.49 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.97 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -164.7 147.7 8.72 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.52 107.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 9' ' ' TYR . 58.2 mtt -79.6 127.44 32.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' A' ' 81' ' ' MET . 16.3 t-160 -119.3 110.58 17.15 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 169.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -136.95 145.92 44.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -96.26 119.91 35.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 111.019 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.98 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.956 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 27.8 m-85 -91.57 123.56 35.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.111 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -151.39 155.39 38.55 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.628 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -11.74 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.509 178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.65 100.26 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.572 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -86.0 63.52 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.594 0.711 . . . . 0.0 111.02 -176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 1.1 m-20 -112.96 122.05 46.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.298 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.53 -36.61 78.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.465 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.4 -41.48 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 63.6 mmtt -66.04 -38.22 87.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.258 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -49.65 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.155 0.502 . . . . 0.0 110.473 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG22 ' HE2' ' A' ' 37' ' ' LYS . 85.1 mt -64.82 -43.06 96.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.779 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.6 tt0 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.663 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.94 -38.85 92.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.64 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HE2' HG22 ' A' ' 33' ' ' ILE . 57.6 mtmt -70.97 -29.52 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.4 mm100 -64.86 -45.8 84.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.0 110.071 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -65.04 -45.01 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.386 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' ILE . 84.1 mt -58.5 -37.95 76.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 7.5 t -62.51 -44.56 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.184 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.8 m -65.72 -44.94 84.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.738 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 40' ' ' LEU . 44.7 pt -74.49 -9.44 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.23 33.87 16.15 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.857 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -131.57 29.61 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.733 0.301 . . . . 0.0 111.03 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -66.02 121.52 15.3 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.148 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.86 -26.53 0.51 Allowed Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -174.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 131.58 46.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.208 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m -84.75 92.0 8.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.47 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.524 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 23.8 t -82.55 118.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.411 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 80.6 p -134.31 -170.18 2.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.236 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -67.87 -13.69 62.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -81.99 -34.15 29.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.254 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG3' ' HA ' ' A' ' 50' ' ' VAL . 8.2 mm-40 -82.62 -49.02 10.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.914 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.1 p -93.5 128.74 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.682 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -119.64 120.29 36.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.704 0.288 . . . . 0.0 110.814 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.3 106.42 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.0 m -90.67 -57.69 2.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.837 -176.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -159.31 179.9 8.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.369 0.604 . . . . 0.0 111.883 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 m -132.31 146.86 52.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.527 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.91 166.85 27.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.751 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 147.97 43.9 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -117.96 131.36 24.19 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.262 -168.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' HG22 ' A' ' 67' ' ' VAL . 25.1 Cg_exo -63.16 139.67 73.76 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.537 2.158 . . . . 0.0 110.702 171.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.96 -26.9 67.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.992 0.425 . . . . 0.0 110.765 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.09 -46.16 85.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.604 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 64' ' ' PRO . 18.2 m -77.15 -27.66 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.191 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 63' ' ' ALA . 45.6 mm -62.11 -37.51 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 5.6 tp10 -53.71 -38.42 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.54 22.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 67' ' ' VAL . 78.7 mt -61.42 -40.08 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.491 -177.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 69' ' ' GLU . 48.3 mtmt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.882 0.372 . . . . 0.0 111.659 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -90.48 -48.19 7.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.666 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -81.42 -32.9 32.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 111.368 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.41 -11.5 68.7 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -156.84 159.73 38.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 77.3 t80 -128.86 109.59 11.4 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -82.21 97.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.473 . . . . 0.0 110.427 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -79.31 98.66 6.77 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.01 96.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.708 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.0 ttm -81.62 155.73 25.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.573 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -55.87 136.36 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 110.602 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 128.92 -26.53 4.48 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 23.9 p -102.43 17.13 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.478 0.656 . . . . 0.0 109.796 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.833 -177.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.092 0.472 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 5.0 pm0 -99.28 119.21 37.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.973 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 23' ' ' PHE . 11.7 pt -78.62 130.42 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.847 -173.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.484 ' HA ' ' HE1' ' A' ' 57' ' ' PHE . 18.6 m170 -82.14 108.17 15.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' NE2' ' A' ' 59' ' ' HIS . 14.7 t -97.87 112.56 30.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.518 -173.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 86.3 m-85 -101.73 88.34 3.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.807 174.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.686 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 21.9 t0 -71.99 99.4 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 17.6 m -88.05 114.29 24.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.927 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -84.46 87.3 7.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.322 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 40' ' ' LEU . 58.0 t -90.71 107.33 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.51 101.72 3.63 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 167.35 11.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.381 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -56.61 -33.08 65.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.422 -177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.64 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.97 -5.16 42.22 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.563 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -91.59 150.97 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.266 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -82.04 108.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.095 0.474 . . . . 0.0 111.34 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 63.6 mmm -96.2 90.54 5.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.988 175.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' HA ' ' O ' ' A' ' 8' ' ' THR . 6.0 p80 -110.41 150.14 29.25 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' ASP . 34.3 p90 -155.31 157.84 37.81 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.683 -172.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 6.3 m-20 -96.0 108.02 20.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.189 0.519 . . . . 0.0 110.354 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.5 t -81.16 103.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.566 174.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 3' ' ' ILE . 23.7 m-85 -91.47 118.47 30.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.8 t -148.66 142.3 25.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.433 171.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -88.08 -16.5 33.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.441 0.639 . . . . 0.0 109.714 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.12 139.71 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.071 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -97.52 87.94 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -162.91 105.63 1.04 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.573 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.067 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -70.68 -33.19 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.396 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -69.01 -39.15 79.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.444 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.98 97.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 0.0 110.063 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 50' ' ' VAL . 83.4 mt -58.83 -42.5 85.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.374 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 10.2 tp10 -55.78 -49.48 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.442 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.56 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.13 81.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.515 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 10.4 mtmp? -64.71 -33.2 75.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 49.0 mt-30 -72.15 -29.87 64.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.66 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -76.52 -43.77 37.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.227 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 10' ' ' VAL . 85.9 mt -63.43 -33.65 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.668 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -74.07 -29.77 62.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 0.0 110.783 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -75.01 -36.11 61.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.36 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.0 pt -80.72 -17.53 12.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.43 33.11 6.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.579 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.58 -79.45 0.5 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.074 0.437 . . . . 0.0 110.748 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.52 0.15 1.35 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.601 0.563 . . . . 0.0 112.347 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.95 46.42 2.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.209 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.81 128.56 10.88 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.8 m -80.53 88.57 5.66 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 33' ' ' ILE . 15.9 t -70.49 99.4 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.541 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -140.13 -168.66 2.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.007 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -67.72 0.67 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 0.0 111.334 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.56 -50.44 8.8 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 120.918 0.389 . . . . 0.0 110.608 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -94.06 -32.22 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.0 t -104.45 106.93 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 95.6 mtt180 -130.09 164.13 25.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' HE1' ' HA ' ' A' ' 4' ' ' HIS . 75.6 t80 -84.71 99.27 10.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 83.4 m -86.88 -43.88 12.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.119 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' NE2' HG11 ' A' ' 5' ' ' VAL . 2.2 p80 -154.11 164.8 37.91 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.71 0.767 . . . . 0.0 112.689 -177.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m -109.51 118.33 36.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.899 -1.501 . . . . 0.0 107.285 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HB3' HD11 ' A' ' 3' ' ' ILE . 16.9 tp10 -118.11 147.05 43.67 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.798 -169.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -77.61 103.71 7.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -72.37 123.32 89.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.996 -174.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 68' ' ' ILE . 48.7 Cg_endo -70.58 159.41 52.88 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.446 2.098 . . . . 0.0 111.378 172.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.15 -33.39 62.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.768 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.27 -53.7 52.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.719 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -74.81 -24.41 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.042 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.9 mm -57.61 -46.9 86.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.058 0.456 . . . . 0.0 109.781 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.51 -48.68 80.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.656 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.17 89.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.805 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 23' ' ' PHE . 81.9 mt -68.77 -39.41 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.99 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.47 -30.76 71.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.792 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.49 -49.61 9.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.842 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -95.46 -27.61 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -172.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.99 30.22 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -155.76 156.64 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.529 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 76.7 t80 -132.79 119.47 20.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.4 mm -90.46 108.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -104.47 113.57 27.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -79.16 108.59 12.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.616 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.37 -46.77 87.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 109.902 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' HG2' ' H ' ' A' ' 83' ' ' GLY . 9.3 tt0 -163.66 -171.78 2.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.798 176.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.472 ' H ' ' HG2' ' A' ' 82' ' ' GLU . . . 87.77 -50.11 3.93 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.653 -177.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.4 m -133.82 168.5 18.62 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.689 -175.682 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.691 ' HE2' HG12 ' A' ' 68' ' ' ILE . 51.9 ttp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -87.26 116.26 25.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.984 0.421 . . . . 0.0 110.705 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.8 pt -88.88 133.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.269 0.557 . . . . 0.0 110.965 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -90.17 106.84 18.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.65 105.19 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.73 104.58 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.61 96.86 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -93.15 124.21 36.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.227 0.537 . . . . 0.0 112.146 -167.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.46 102.19 12.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.575 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.464 HG23 HG22 ' A' ' 8' ' ' THR . 94.7 t -115.88 109.12 27.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 61.8 tttm -90.15 126.1 35.68 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.858 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.81 49.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.68 -44.29 96.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.873 0.368 . . . . 0.0 111.158 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -124.9 37.48 4.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.82 -118.74 1.24 Allowed Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.376 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -120.63 171.89 8.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.61 0.243 . . . . 0.0 110.989 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 15.4 t -93.55 114.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mtp -79.89 113.34 17.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.215 0.531 . . . . 0.0 110.031 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.15 102.7 12.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.04 178.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -136.79 133.45 35.98 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.86 0.362 . . . . 0.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -95.96 129.43 43.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.486 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 24' ' ' THR . 41.7 t -99.53 115.18 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.578 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 83.4 m-85 -88.07 115.51 25.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.976 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 HG12 ' A' ' 22' ' ' VAL . 31.8 p -126.01 148.27 49.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.114 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -93.03 -42.56 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.29 126.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.273 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -74.91 88.28 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.989 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -168.26 136.66 2.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.087 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -90.13 -32.34 16.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 25.8 ttpp -64.6 -44.28 91.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 35' ' ' PHE . 15.4 ttmm -66.34 -27.61 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.26 99.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 109.741 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG12 ' SG ' ' A' ' 55' ' ' CYS . 66.2 mt -61.99 -44.75 99.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.142 175.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 42.0 mt-10 -56.98 -47.38 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.503 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CE2' ' HG2' ' A' ' 31' ' ' LYS . 18.7 m-85 -64.97 -42.09 94.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.964 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.87 -48.11 83.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' ' 33' ' ' ILE . 56.6 mtmt -66.65 -39.36 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.313 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 79.5 mt-30 -59.82 -45.51 92.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.437 177.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -64.38 -45.85 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.62 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.3 mt -58.39 -43.23 88.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.649 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.552 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 22.6 t -65.15 -33.92 77.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.627 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t -68.92 -40.77 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.2 pt -86.91 -9.47 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.28 4.31 58.48 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.167 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.75 37.2 1.22 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.368 0.604 . . . . 0.0 110.243 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 9.3 pt-20 -83.06 19.38 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.519 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.58 37.78 3.65 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.989 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.76 166.56 22.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 m -104.38 118.62 37.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -119.03 105.04 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.697 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -111.72 -174.89 2.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 173.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.447 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 36.3 t -68.06 -5.03 15.41 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.83 -40.95 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.38 -37.06 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.3 p -93.14 93.48 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 0.0 109.808 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -101.8 123.5 45.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.592 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 92.6 t80 -78.07 105.49 9.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.703 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 78.6 m -83.94 -52.53 6.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.094 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -159.15 177.19 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.356 0.598 . . . . 0.0 111.46 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.592 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 9.2 t -139.47 131.37 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.642 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.27 177.57 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.19 125.76 28.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.66 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -75.92 139.75 69.91 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.454 -173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 40.8 Cg_exo -57.54 145.73 87.45 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.674 2.249 . . . . 0.0 110.492 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' A' ' 68' ' ' ILE . 20.5 t70 -62.95 -32.64 74.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -166.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -80.5 -27.66 37.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.051 -0.406 . . . . 0.0 111.588 -175.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.4 m -76.4 -24.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.127 0.489 . . . . 0.0 110.295 -177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.691 HG12 ' HE2' ' A' ' 1' ' ' MET . 94.6 mt -62.85 -50.14 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.335 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.39 -32.66 71.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 0.0 110.217 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.855 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 67' ' ' VAL . 79.3 mt -71.61 -27.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 0.0 110.827 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 74.4 mmtt -74.2 -36.42 63.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.178 0.513 . . . . 0.0 110.419 176.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -77.77 -52.58 8.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -86.76 -23.25 25.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.47 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.32 -28.3 14.68 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -156.09 152.21 27.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 56.3 t80 -119.72 119.27 33.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -103.28 116.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -103.33 125.78 50.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -83.7 95.33 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 42.4 ttm -73.51 -65.19 0.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.93 168.71 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.874 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.85 27.99 67.68 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.062 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m -131.51 -8.41 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.114 0.483 . . . . 0.0 110.421 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.276 179.296 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.923 0.392 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.79 151.24 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 60' ' ' SER . 20.2 pt -108.77 132.66 56.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.115 0.483 . . . . 0.0 111.027 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.628 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 19.3 m-70 -95.29 109.08 21.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.49 108.83 18.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.549 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 36.3 m-85 -101.76 99.84 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.864 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -72.29 107.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 15.2 m -97.66 104.82 16.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -83.26 102.29 11.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.64 113.34 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.248 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -74.04 96.39 2.68 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 152.27 24.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.281 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -68.29 -25.14 64.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.266 0.555 . . . . 0.0 110.356 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.29 -28.09 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.573 174.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.34 41.7 1.6 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.778 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -135.9 146.67 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -77.8 85.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.622 . . . . 0.0 109.533 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.749 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 27.7 ttt -86.42 90.62 8.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.061 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.554 ' HA ' ' O ' ' A' ' 8' ' ' THR . 2.8 p80 -114.31 135.5 54.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.8 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -132.48 169.23 16.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 -173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -95.76 112.88 24.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.458 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.9 t -90.63 99.55 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 73.5 m-85 -86.52 108.38 18.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.142 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.664 ' HB ' HG12 ' A' ' 26' ' ' VAL . 23.2 p -127.76 138.11 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -100.77 -10.14 21.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' A' ' 24' ' ' THR . 12.5 p -59.14 -28.27 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.259 -178.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HG3' ' CE1' ' A' ' 4' ' ' HIS . 9.3 ttm180 69.05 22.84 6.76 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.68 175.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.1 t70 -115.27 120.98 41.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.044 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.51 -47.59 81.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -175.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -66.86 -38.43 86.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.952 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 tppt? -66.61 -40.75 88.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.8 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 72.6 mt -66.16 -38.01 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.69 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.19 -41.77 89.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.733 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 17.1 m-85 -68.57 -37.4 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.52 99.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.19 -49.82 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.61 -20.96 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.624 0.249 . . . . 0.0 111.353 -177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -77.9 -39.94 41.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.34 -43.25 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -70.34 -23.07 62.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 t -72.32 -36.4 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 45' ' ' GLU . 38.6 pt -92.14 -19.48 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 111.6 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.92 -2.59 35.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.24 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' H ' HG13 ' A' ' 43' ' ' ILE . 21.6 mm-40 -91.1 61.24 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.36 0.6 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -93.3 43.78 1.13 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.655 0.741 . . . . 0.0 109.45 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.91 33.57 6.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.29 129.48 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.719 0.295 . . . . 0.0 111.125 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -80.72 99.52 8.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 32.2 t -82.37 106.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.176 0.512 . . . . 0.0 111.141 -173.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -116.18 -175.19 2.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.283 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 m -68.99 -10.64 58.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.688 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -78.6 -31.58 47.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.074 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.28 -48.67 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.811 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 46.1 t -94.87 97.49 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -107.53 118.37 36.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.139 0.495 . . . . 0.0 111.735 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 65.6 t80 -58.62 122.31 13.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.171 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.97 -56.98 2.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -164.33 167.3 19.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 111.876 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 15.7 m -123.27 131.37 53.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.022 174.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -158.12 -168.09 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.708 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -71.82 151.79 43.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.466 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -130.81 145.52 58.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.396 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.597 ' O ' HG12 ' A' ' 68' ' ' ILE . 33.3 Cg_endo -65.31 153.68 77.14 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.877 2.384 . . . . 0.0 112.4 176.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.89 -41.14 44.99 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.78 -55.03 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.958 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.6 m -69.39 -26.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.246 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.1 mm -53.54 -57.53 5.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.856 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.509 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.91 -48.81 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 67' ' ' VAL . 86.8 mt -64.24 -37.67 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.595 0.236 . . . . 0.0 111.102 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HE2' HG22 ' A' ' 68' ' ' ILE . 54.9 mtmt -70.14 -17.87 63.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -99.76 -49.4 4.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 0.0 110.541 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -81.04 -26.94 35.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.77 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.17 42.24 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.531 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -163.66 154.81 16.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.0 t80 -127.73 126.88 42.66 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.89 113.51 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 110.786 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -109.77 122.4 47.4 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -75.37 107.0 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.446 ' HG2' ' OE2' ' A' ' 82' ' ' GLU . 32.4 ttm -74.99 -74.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 18' ' ' MET . 7.2 mp0 -118.19 96.92 5.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 170.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.749 ' HA3' ' HG3' ' A' ' 18' ' ' MET . . . -175.18 55.86 0.12 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.298 -177.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 p -173.1 -49.97 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.8 m120 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.82 173.408 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.97 124.65 40.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.9 pt -93.64 124.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.356 0.598 . . . . 0.0 110.906 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -83.07 106.59 15.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.56 106.41 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 123.449 0.468 . . . . 0.0 111.272 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -104.56 98.22 8.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.56 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.51 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.1 t70 -72.09 106.81 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.777 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 14.5 m -110.63 102.57 11.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.133 0.492 . . . . 0.0 111.526 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.99 92.62 6.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 87.6 t -87.1 106.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -77.51 94.72 4.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.3 154.14 36.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.446 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -70.27 -53.65 15.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -173.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -121.99 -3.01 9.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.462 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.02 -103.48 0.49 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.459 -0.877 . . . . 0.0 110.912 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -165.47 169.02 16.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.3 107.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.47 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 97.3 mmm -71.9 110.01 6.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.416 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.39 102.81 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' HA ' ' H ' ' A' ' 81' ' ' MET . 42.7 p90 -158.78 156.47 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.21 152.68 47.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.264 0.554 . . . . 0.0 110.623 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -107.42 115.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.848 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 60.3 m-85 -91.35 113.48 25.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.1 t -131.82 150.75 52.06 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.566 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -86.52 -20.21 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.594 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 28' ' ' ASP . 95.5 t -63.17 141.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.345 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -102.38 23.55 11.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.315 0.578 . . . . 0.0 110.308 -174.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.5 t70 -118.18 120.84 38.93 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.361 -175.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.79 -35.66 81.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.96 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.03 -37.05 72.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.764 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 63.0 mmtt -65.81 -37.43 86.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.189 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.32 94.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.063 0.459 . . . . 0.0 110.006 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG12 ' SG ' ' A' ' 55' ' ' CYS . 77.2 mt -61.11 -43.72 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.453 174.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 36.4 tt0 -56.91 -51.44 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.785 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.61 -40.73 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.91 -43.02 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 0.0 110.236 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.48 -37.73 88.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.517 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.1 mt-30 -56.24 -38.14 70.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -76.71 -38.63 53.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.13 0.49 . . . . 0.0 110.161 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 43' ' ' ILE . 95.7 mt -65.05 -30.18 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -67.27 -36.22 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -69.55 -40.29 76.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 40' ' ' LEU . 32.0 pt -86.75 -10.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.985 0.421 . . . . 0.0 111.003 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.51 32.04 62.46 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.199 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.83 18.54 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.918 0.359 . . . . 0.0 111.567 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.52 23.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.44 -15.66 79.02 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.076 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.05 30.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -77.57 89.94 3.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.175 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.14 97.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.517 0.675 . . . . 0.0 110.14 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 53' ' ' GLU . 7.0 t -131.43 179.13 6.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.456 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -48.46 -25.79 1.82 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.44 1.096 . . . . 0.0 113.053 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' H ' HG23 ' A' ' 51' ' ' THR . 29.0 tt0 -78.82 -35.57 43.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -93.4 -28.67 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.923 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.8 p -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 171.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -92.73 124.99 37.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.146 -173.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -74.26 123.98 25.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.303 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 59.4 m -87.77 -63.9 1.23 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.705 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -175.78 -177.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.942 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m -119.53 125.7 49.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.522 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.07 177.48 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -66.59 144.65 56.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -94.14 126.48 48.52 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.39 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 67' ' ' VAL . 33.1 Cg_exo -61.6 129.41 27.82 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.156 1.904 . . . . 0.0 110.114 170.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 68' ' ' ILE . 33.9 t70 -55.45 -30.1 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.913 0.387 . . . . 0.0 111.506 -174.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.77 -22.11 63.75 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.336 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.5 m -103.42 -12.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 111.34 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 65' ' ' ASP . 61.8 mt -76.69 -36.58 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -167.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.35 -39.41 92.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.04 93.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.02 -34.03 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.9 -36.84 84.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -85.05 -44.7 12.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -94.82 -31.72 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.65 -6.98 63.1 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.46 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -155.4 151.48 27.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.664 0.269 . . . . 0.0 110.505 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.4 t80 -124.3 110.59 14.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.5 mm -83.81 99.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.977 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 81' ' ' MET . 91.0 t80 -85.72 110.73 19.53 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.675 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.56 ' HD3' ' SG ' ' A' ' 84' ' ' CYS . 85.1 mttt -76.91 93.37 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 48.4 ttm -55.14 -62.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.63 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -160.64 18.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.458 0.647 . . . . 0.0 109.548 177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.36 -30.94 73.56 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.506 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.56 ' SG ' ' HD3' ' A' ' 80' ' ' LYS . 57.8 m -102.96 101.04 11.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.985 0.421 . . . . 0.0 109.967 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.643 -0.694 . . . . 0.0 110.371 -175.545 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' HB2' ' A' ' 25' ' ' ASP . 28.0 ttt . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -101.81 122.61 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.969 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.545 HG23 ' HB2' ' A' ' 63' ' ' ALA . 10.3 pt -95.75 127.47 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.233 0.54 . . . . 0.0 111.36 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 11.3 m-70 -81.24 112.76 18.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.467 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.65 103.13 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 98.3 m-85 -105.84 88.41 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.52 173.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 8.2 p-10 -79.63 120.26 23.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 121.599 0.714 . . . . 0.0 109.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 6.1 m -101.79 134.23 45.29 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.079 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -104.38 84.35 2.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.204 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.572 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 48.9 t -89.6 119.26 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 12.0 mptt -82.43 95.67 7.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.52 150.82 36.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.364 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.69 -21.17 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.369 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.12 7.74 1.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.41 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.89 24.84 76.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.88 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -119.91 130.08 54.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.89 0.376 . . . . 0.0 110.779 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -81.38 99.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.572 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 90.6 mmm -79.92 90.75 5.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.3 t-160 -98.44 101.12 12.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.656 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.64 149.9 46.62 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.962 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 5.8 m-20 -96.0 116.07 28.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.369 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 HG23 ' A' ' 24' ' ' THR . 47.0 t -87.96 98.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 41.9 m-85 -84.06 116.4 22.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.743 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.457 HG23 HG12 ' A' ' 22' ' ' VAL . 9.0 p -129.35 140.8 51.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.617 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 29.5 t70 -80.08 -35.4 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -60.45 119.87 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.57 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.825 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -94.51 36.63 1.15 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.411 0.624 . . . . 0.0 110.974 -173.127 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -102.46 154.31 19.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.946 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -86.32 -46.71 10.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -71.28 -39.8 71.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.774 -174.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -59.79 -40.0 86.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.66 84.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 83.6 mt -62.95 -37.99 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.685 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 40.0 tt0 -64.33 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.41 -36.98 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.09 91.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.171 0.51 . . . . 0.0 110.564 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 34' ' ' GLU . 8.3 mtmp? -73.63 -26.78 60.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.158 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 87.3 mm-40 -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -66.01 -37.66 86.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.362 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.7 -37.78 87.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.479 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 32.4 t -66.07 -38.12 87.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -59.98 -45.53 92.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.925 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -79.15 -11.54 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 10.55 38.86 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.426 -0.893 . . . . 0.0 113.739 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -96.77 -2.77 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 33.6 mt-10 66.56 -76.04 0.05 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.862 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.81 101.91 0.15 Allowed Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.217 -177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -175.4 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m -71.25 89.17 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.112 0.482 . . . . 0.0 110.384 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 51.2 t -104.03 108.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.349 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.6 p -106.58 -172.5 2.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.799 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -83.16 -8.53 59.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -85.64 -39.91 16.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.446 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -74.95 -46.59 34.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.407 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 15.6 t -95.44 95.73 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -97.36 135.46 39.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.61 -167.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -92.76 107.22 19.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.04 -65.6 0.98 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.725 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -166.41 -178.39 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.769 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.8 m -115.67 113.22 23.22 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -118.91 -177.0 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.39 . . . . 0.0 111.515 -173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 62' ' ' LYS . 2.8 mptp? -69.75 142.19 53.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.269 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -110.36 116.36 53.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.561 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.58 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.6 Cg_exo -74.24 157.47 45.93 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.739 2.293 . . . . 0.0 111.019 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 29.3 t70 -55.06 -24.27 24.2 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 111.721 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -49.09 -48.99 43.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.07 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.83 -21.46 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.2 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.9 mm -54.29 -59.87 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -30.91 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -53.83 9.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.739 0.304 . . . . 0.0 111.149 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.68 -33.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -71.97 -24.77 61.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.151 0.5 . . . . 0.0 111.177 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -85.26 -57.64 3.0 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -97.23 -40.29 8.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.568 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.51 -30.97 2.64 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.101 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -145.93 168.73 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.904 0.352 . . . . 0.0 111.18 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.7 t80 -132.01 119.99 21.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 110.332 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.3 mm -94.86 102.84 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.671 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 82.0 t80 -85.04 112.71 20.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.344 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.574 ' HD2' ' SG ' ' A' ' 84' ' ' CYS . 28.9 mmtp -71.34 98.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.68 172.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.448 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 46.3 ttm -58.42 -56.71 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.09 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.611 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.56 111.04 2.13 Favored Glycine 0 N--CA 1.452 -0.286 0 O-C-N 124.052 0.845 . . . . 0.0 113.5 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.574 ' SG ' ' HD2' ' A' ' 80' ' ' LYS . 69.7 m -143.01 -53.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.582 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.748 0.309 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -113.53 145.61 40.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 63' ' ' ALA . 43.0 pt -110.37 149.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.713 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.655 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 9.2 m170 -89.57 121.74 32.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.86 176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.79 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 95.7 m-85 -109.59 104.31 13.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.184 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.66 107.4 4.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -106.66 120.7 42.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 111.829 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -86.84 102.23 14.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.367 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -107.88 109.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.479 . . . . 0.0 110.101 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -83.87 105.0 14.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.463 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.94 146.47 43.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -62.99 -37.54 87.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.829 0.347 . . . . 0.0 111.049 -172.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.08 24.17 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.572 0.701 . . . . 0.0 109.615 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -120.4 28.64 6.19 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.703 -175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 83.9 t60 73.33 147.21 0.09 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 111.19 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.11 110.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.708 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 73.5 mtp -79.84 116.61 20.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.53 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -102.73 116.91 33.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 45.3 p90 -144.96 149.86 35.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -96.06 113.39 25.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.596 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -83.61 103.01 10.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 42.4 m-85 -83.7 107.37 16.09 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -122.71 145.57 48.27 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.768 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 71' ' ' ILE . 5.3 t70 -79.69 -42.0 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 0.0 110.557 175.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 28' ' ' ASP . 8.8 t -64.77 142.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.544 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 55.1 mtm180 -98.05 23.21 8.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.97 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 26' ' ' VAL . 4.3 m-20 -104.54 121.81 44.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.229 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -61.03 -39.62 90.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -59.13 -38.25 79.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 40.9 tptt -74.96 -39.49 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.55 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 109.966 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.474 HG22 ' HE2' ' A' ' 37' ' ' LYS . 83.0 mt -59.68 -43.45 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.393 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.34 -46.1 91.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.072 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 13.0 m-85 -61.0 -41.13 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.805 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.69 -43.76 95.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 33' ' ' ILE . 53.2 mtmt -70.56 -34.29 72.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.391 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.027 0.441 . . . . 0.0 109.966 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -68.86 -43.83 74.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.981 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.7 mt -59.35 -40.45 86.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 62.4 m -62.35 -36.23 81.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.691 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -71.16 -39.01 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.816 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 40' ' ' LEU . 39.6 pt -80.87 -8.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.403 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.7 14.44 31.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.73 173.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -97.17 -9.56 27.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.587 -0.361 . . . . 0.0 110.475 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 45.1 mt-10 61.77 -88.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.956 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.64 95.65 0.15 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.16 -176.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m -65.93 96.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.43 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.91 96.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.171 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -125.4 -168.09 1.78 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.058 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -56.54 -25.42 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.27 0.356 . . . . 0.0 111.758 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.66 -43.97 44.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.273 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -76.37 -33.52 58.92 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.61 114.6 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.218 0.532 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -102.09 126.29 49.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -79.27 107.87 12.35 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 60.0 m -73.91 -60.03 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 178.01 -178.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.253 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 19.7 m -122.25 120.92 35.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -135.68 170.7 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.828 0.347 . . . . 0.0 111.544 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.84 128.45 35.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.987 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -98.41 152.27 37.87 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.508 -176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' HG12 ' A' ' 68' ' ' ILE . 31.4 Cg_exo -59.57 142.47 98.9 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.443 2.096 . . . . 0.0 110.782 172.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.38 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.962 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.38 -48.55 81.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.607 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 71' ' ' ILE . 21.0 m -79.04 -13.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.746 0.308 . . . . 0.0 111.131 -175.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.4 mm -62.0 -33.4 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -45.54 94.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.672 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.17 89.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.992 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 67' ' ' VAL . 46.4 mm -67.16 -36.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 0.0 110.807 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.96 -30.88 56.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.99 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -83.5 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.392 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.11 -24.34 18.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.25 -8.4 58.91 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -156.76 160.34 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 82.9 t80 -137.41 123.69 20.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.583 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.5 mm -94.13 108.03 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -111.34 116.01 30.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.02 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 55.7 mtmt -80.26 131.81 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.949 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 34.6 ttm -76.91 -54.44 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.459 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.68 166.81 23.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.196 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.48 9.27 85.06 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.221 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 p -127.27 95.65 4.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.646 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.122 -0.942 . . . . 0.0 109.871 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' OD1' ' A' ' 25' ' ' ASP . 26.2 ttt . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.773 0.32 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -147.45 140.22 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.436 ' HB ' ' HD1' ' A' ' 23' ' ' PHE . 12.1 pt -70.72 123.64 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.664 . . . . 0.0 111.875 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -94.04 113.85 25.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 23' ' ' PHE . 27.1 t -87.22 108.33 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.878 -175.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 86.8 m-85 -107.43 92.81 4.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 12.2 t70 -69.55 105.73 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -107.24 122.11 45.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.132 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 74.8 m-85 -85.58 126.85 34.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.392 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HD21 ' A' ' 40' ' ' LEU . 60.7 t -120.79 111.8 33.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -78.84 107.18 11.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.39 148.85 35.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.83 -39.72 94.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -147.6 -17.54 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -82.76 29.46 3.34 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.657 -176.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 54.2 t60 74.44 137.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.752 0.787 . . . . 0.0 112.35 174.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 113.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.277 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.435 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 68.8 mtm -102.91 142.16 34.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.05 137.89 31.39 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -136.61 169.22 18.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.598 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 11.3 m-20 -95.69 111.76 23.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.4 t -87.77 105.13 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 93.3 m-85 -94.46 113.15 24.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.582 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -140.48 157.62 45.24 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.223 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 30.3 t70 -93.96 -15.14 25.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.227 0.537 . . . . 0.0 110.069 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.67 131.12 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -98.14 81.75 2.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -168.76 132.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.052 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.38 -33.13 32.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.74 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -67.92 -44.73 76.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -65.38 -33.84 76.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.236 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.95 83.66 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.439 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.15 -40.87 79.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.206 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 tt0 -59.13 -47.04 86.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.755 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -59.19 -43.4 92.22 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.74 -44.19 93.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.998 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.18 -34.72 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.6 mm100 -57.7 -46.47 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.719 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -65.08 -40.43 94.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.258 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 48' ' ' ALA . 91.6 mt -64.75 -44.3 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.335 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.669 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.2 m -61.96 -34.58 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.996 0.427 . . . . 0.0 110.425 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -71.66 -45.57 61.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -72.12 -23.45 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.32 -14.7 5.86 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.12 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.48 -34.62 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.761 0.281 . . . . 0.0 110.681 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 9.2 tp10 70.0 -72.92 0.1 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.114 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 108.33 0.69 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -121.2 156.27 32.76 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -69.47 104.98 2.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.867 0.365 . . . . 0.0 111.217 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.25 101.87 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.147 0.498 . . . . 0.0 109.822 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 p -121.41 -168.08 1.62 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.139 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 m -69.79 -7.04 36.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -82.56 -42.85 17.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.149 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 12.5 mm-40 -89.82 -42.95 10.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.072 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.91 109.07 21.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -125.46 147.45 49.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.416 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 78.2 t80 -87.26 112.82 22.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 72.8 m -91.22 -48.19 7.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.816 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -169.15 172.84 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.392 0.615 . . . . 0.0 110.761 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 12.9 t -144.46 139.13 28.13 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.888 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -162.59 178.25 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.298 -169.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -54.02 110.81 0.64 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 124.034 0.834 . . . . 0.0 111.082 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -79.85 129.73 69.67 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.919 -177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 67' ' ' VAL . 31.8 Cg_exo -59.54 144.38 99.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.504 2.136 . . . . 0.0 110.889 171.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.701 0.286 . . . . 0.0 111.756 -174.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.32 -34.41 76.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' PRO . 14.6 m -73.9 -18.79 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.683 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' HE3' ' A' ' 72' ' ' LYS . 45.4 mm -62.36 -38.4 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.084 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 10.3 tp10 -60.12 -44.4 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.08 93.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.939 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 67' ' ' VAL . 63.3 mt -66.75 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HE3' HG22 ' A' ' 68' ' ' ILE . 99.4 mttt -67.73 -55.41 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.14 0.495 . . . . 0.0 110.637 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 70.2 mm-40 -69.59 -50.33 45.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.154 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.96 -19.01 19.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.316 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.74 -13.32 67.04 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.303 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -161.54 142.37 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.439 . . . . 0.0 110.141 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 65.0 t80 -106.28 115.88 30.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 176.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.8 mm -90.09 109.79 21.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 43.3 t80 -96.4 106.41 18.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.31 99.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.262 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.9 ttm -72.55 159.95 33.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.405 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.8 129.71 20.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.456 0.646 . . . . 0.0 111.608 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.76 -19.4 14.12 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.65 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 18' ' ' MET . 24.5 m -98.74 143.41 29.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.59 176.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 121.084 0.469 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 63' ' ' ALA . 14.4 pt -81.84 123.98 38.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -89.61 110.78 21.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.32 104.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.642 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -100.91 99.2 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.728 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.9 t70 -67.58 111.85 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.695 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 m -109.45 129.39 55.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 97.9 m-85 -100.27 111.83 24.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.457 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.594 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 54.2 t -118.93 109.57 27.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.238 0.542 . . . . 0.0 109.544 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.7 104.71 14.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.763 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 170.049 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 81.8 mmm -79.49 90.65 5.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.856 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' MET . 7.7 t-160 -99.21 95.18 6.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.949 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 51.0 p90 -131.55 150.79 52.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.925 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.38 136.28 45.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.473 0.654 . . . . 0.0 110.436 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 47.0 t -97.67 114.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.238 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 71' ' ' ILE . 76.0 m-85 -84.29 111.85 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -140.05 161.26 38.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.257 0.551 . . . . 0.0 111.195 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.01 -16.13 25.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.829 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 28' ' ' ASP . 30.1 t -75.25 143.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -103.81 22.36 14.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.035 0.445 . . . . 0.0 111.356 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.614 ' H ' HG12 ' A' ' 26' ' ' VAL . 33.4 t70 -104.42 122.53 45.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.135 -176.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -36.17 83.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.246 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 30' ' ' LYS . 6.3 ttpm? -63.67 -43.9 95.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.265 176.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 57.8 mmtt -60.69 -38.14 83.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.195 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.64 87.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.291 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 62.7 mt -62.07 -49.15 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.412 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 32.5 tt0 -59.59 -48.33 82.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.466 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.95 -39.01 93.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.744 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.52 -43.28 94.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.667 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 58.9 mtpt -66.93 -41.91 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.202 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 53.3 mt-30 -60.41 -39.51 87.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 109.998 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -67.59 -43.2 81.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.789 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.1 mt -59.37 -47.3 85.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.986 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.9 m -63.21 -29.37 70.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -71.16 -51.35 25.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.611 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -77.63 -26.53 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.041 177.105 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.99 110.11 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 110.507 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 p -108.9 -174.05 2.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.335 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 61.7 m -65.43 -19.0 65.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.652 175.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.89 -29.86 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.763 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 6.4 mm-40 -82.35 -32.36 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.439 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 31.2 p -85.2 131.32 34.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 62.3 ttt180 -139.43 143.41 37.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.951 -175.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -110.58 122.04 46.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 76.6 m -84.35 -67.6 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.795 0.331 . . . . 0.0 110.516 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -177.18 -179.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -118.14 130.42 56.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.374 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.52 178.88 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.502 0.191 . . . . 0.0 111.029 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -64.34 148.35 50.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.529 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -118.07 124.72 28.47 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.883 -173.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.509 ' O ' HG12 ' A' ' 68' ' ' ILE . 22.7 Cg_exo -66.19 155.56 69.16 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.947 2.431 . . . . 0.0 111.553 173.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.21 -37.0 61.62 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.812 0.445 . . . . 0.0 111.633 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -54.69 -55.18 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.979 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 m -71.51 -24.87 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.235 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 64' ' ' PRO . 50.0 mm -57.53 -50.2 77.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.205 0.526 . . . . 0.0 109.853 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -46.11 83.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.969 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 23' ' ' PHE . 57.9 mt -70.99 -31.36 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.09 -34.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -91.1 -46.27 8.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.162 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -96.39 -17.79 20.38 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.67 -29.06 10.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.137 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -157.59 158.26 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -139.58 122.63 16.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.388 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.3 mp -97.27 130.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 91.5 t80 -108.6 133.27 52.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.139 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -76.2 87.73 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.7 ttm . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 67' ' ' VAL . 10.9 pt -80.09 131.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 0.0 111.637 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -89.7 106.23 18.32 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.62 120.4 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.166 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' OH ' ' HA ' ' A' ' 27' ' ' ARG . 96.3 m-85 -106.67 115.38 30.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.567 0.698 . . . . 0.0 110.844 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.4 102.45 8.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.379 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 9.3 m -108.22 117.37 33.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.431 . . . . 0.0 111.501 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -101.58 108.13 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.47 174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 40' ' ' LEU . 55.1 t -107.5 109.34 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -89.45 95.19 10.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.252 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.348 -179.667 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.329 0.585 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 62.2 mmm -89.8 106.22 18.32 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.591 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 8' ' ' THR . 11.9 p80 -114.27 125.29 53.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 81' ' ' MET . 25.6 p90 -143.44 171.58 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.049 -173.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 81' ' ' MET . 5.1 m-20 -103.73 115.48 30.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.366 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.577 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 92.2 t -91.83 111.96 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -96.13 118.8 33.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -151.27 174.28 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -96.84 -30.29 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.511 . . . . 0.0 110.237 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.85 122.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 12.5 ptt85 -101.8 62.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.601 0.715 . . . . 0.0 110.075 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' LYS . 14.5 t70 -123.97 131.89 53.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 t70 -50.31 -64.54 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.816 0.697 . . . . 0.0 112.227 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.84 -34.94 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.798 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 21.2 tptm -60.73 -44.41 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.035 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.33 95.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.095 0.474 . . . . 0.0 111.006 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 37' ' ' LYS . 60.5 mt -64.25 -37.55 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' OE1' ' HD2' ' A' ' 37' ' ' LYS . 1.5 tp10 -65.1 -35.17 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -62.01 -42.31 99.02 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 110.436 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.99 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 33' ' ' ILE . 85.6 mttt -64.41 -33.73 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 75.3 mt-30 -58.71 -40.95 85.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -69.36 -44.62 71.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.004 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 10' ' ' VAL . 95.4 mt -61.16 -39.79 91.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.236 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -65.71 -32.59 74.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.181 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -74.21 -27.42 60.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.272 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.0 pt -98.02 -0.36 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 111.073 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.541 174.495 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.07 104.13 15.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 110.271 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 -161.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -64.03 -21.19 66.41 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 28.7 tt0 -85.03 -17.44 37.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.316 0.579 . . . . 0.0 110.199 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -94.89 -45.53 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.624 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG12 ' A' ' 33' ' ' ILE . 41.9 t -101.73 104.55 15.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.693 176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 1.3 mpp_? -109.78 146.11 35.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.56 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -72.22 111.16 7.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 t -75.13 -63.3 1.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.039 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -179.53 177.33 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.232 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -95.61 135.71 36.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.49 158.55 44.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.001 0.429 . . . . 0.0 111.054 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -60.03 130.98 49.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.862 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -92.89 116.98 67.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.938 -173.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 67' ' ' VAL . 10.0 Cg_exo -72.33 148.23 48.7 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.884 2.389 . . . . 0.0 111.367 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -57.4 -28.09 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.411 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.76 -39.02 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.696 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 3' ' ' ILE . 12.6 m -97.44 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.531 -171.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.38 -52.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.98 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -18.43 58.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.47 -50.43 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.14 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.27 -24.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.434 0.635 . . . . 0.0 110.135 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.39 -25.65 62.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -92.58 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.069 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -99.03 -36.83 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.588 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.17 0.67 54.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.94 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -155.32 116.43 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -108.61 116.46 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.248 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.27 109.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.122 0.486 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -94.03 123.1 37.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -75.82 93.18 3.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.039 0.447 . . . . 0.0 110.401 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 41.8 ttm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.376 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.585 HG21 HG21 ' A' ' 67' ' ' VAL . 18.4 pt -81.77 127.5 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.448 0.642 . . . . 0.0 111.83 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 27' ' ' ARG . 9.9 m170 -90.31 118.75 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.828 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' CE1' ' A' ' 23' ' ' PHE . 42.8 t -90.78 106.39 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 57' ' ' PHE . 88.0 m-85 -105.28 95.58 5.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.05 175.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.61 107.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 16.7 m -106.08 119.76 40.04 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.072 -174.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.653 ' HD1' ' HD2' ' A' ' 19' ' ' HIS . 24.1 m-85 -112.36 80.11 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.234 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.0 t -78.25 118.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.03 0.443 . . . . 0.0 110.04 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -92.67 92.22 7.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.337 -176.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 79.7 mtp -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.171 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.653 ' HD2' ' HD1' ' A' ' 9' ' ' TYR . 39.1 m80 -90.55 102.78 15.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.228 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HA ' ' H ' ' A' ' 81' ' ' MET . 53.2 p90 -149.65 158.05 43.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.4 128.6 47.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -97.48 102.65 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.999 0.428 . . . . 0.0 109.855 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 92.8 m-85 -87.51 116.33 25.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.007 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 p -136.11 160.5 38.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.574 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.8 -25.79 22.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.362 0.601 . . . . 0.0 109.565 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 28' ' ' ASP . 24.1 t -64.17 126.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.142 -176.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HB3' ' HE1' ' A' ' 4' ' ' HIS . 33.8 ptt180 -96.87 21.03 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.954 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.68 ' H ' HG12 ' A' ' 26' ' ' VAL . 13.8 t70 -106.93 126.64 52.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.771 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.82 -30.95 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.832 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 21.7 tptm -76.03 -49.87 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.707 0.289 . . . . 0.0 110.702 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB3' HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.64 -33.78 75.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.268 -174.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.46 94.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.359 173.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.546 HG12 ' SG ' ' A' ' 55' ' ' CYS . 74.5 mt -65.35 -39.69 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 53.6 mt-10 -56.15 -47.54 78.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.752 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.98 -34.86 79.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.729 0.299 . . . . 0.0 111.033 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.34 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 0.0 110.341 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 53.3 mtpt -71.37 -27.24 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 16.3 mm100 -59.13 -42.89 91.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 109.936 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -72.04 -41.45 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.93 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -68.67 -24.07 64.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.3 m -76.77 -34.68 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.155 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.55 14.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.46 . . . . 0.0 110.959 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.289 175.373 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.78 110.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 53' ' ' GLU . 8.9 t -131.26 -162.79 1.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -58.77 -16.61 17.69 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.799 0.839 . . . . 0.0 113.029 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 51' ' ' THR . 55.9 mm-40 -82.1 -30.18 31.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 8' ' ' THR . 7.1 mp0 -83.33 -51.9 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.158 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.546 ' SG ' HG12 ' A' ' 33' ' ' ILE . 12.0 p -101.42 99.09 9.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.296 0.569 . . . . 0.0 110.182 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -95.89 121.21 37.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.945 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 80.8 t80 -75.59 99.41 4.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 83.0 m -86.2 -45.88 10.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -167.68 -178.3 3.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.449 0.642 . . . . 0.0 112.032 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.4 m -129.09 145.55 51.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.649 -1.16 . . . . 0.0 107.971 170.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.75 -176.51 4.91 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.269 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 84.9 tttt -60.78 125.66 24.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.054 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.13 113.46 57.33 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.409 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 68' ' ' ILE . 16.3 Cg_exo -68.97 155.72 67.6 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.835 2.357 . . . . 0.0 111.333 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.93 -32.68 69.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.131 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.11 -52.31 61.42 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.654 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 3' ' ' ILE . 17.5 m -74.64 -25.56 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.556 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 64' ' ' PRO . 48.7 mm -61.22 -47.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.24 -50.32 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.747 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -49.88 75.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.834 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.66 -19.76 20.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 0.0 110.923 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -82.39 -27.6 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.869 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -106.18 -34.83 7.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -103.88 -26.88 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.948 0.404 . . . . 0.0 111.093 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.81 -11.88 70.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.663 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -148.56 158.11 43.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 52.9 t80 -140.6 114.01 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.471 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.22 110.24 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -98.78 114.22 26.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.13 101.04 2.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.625 0.726 . . . . 0.0 110.058 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.458 ' H ' ' HA ' ' A' ' 20' ' ' PHE . 32.4 ttm . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.847 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.408 0.147 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.8 pt -78.26 106.47 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.487 0.661 . . . . 0.0 110.256 173.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 7.0 m-70 -75.56 102.27 5.21 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.511 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.03 99.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.649 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 74.9 m-85 -96.28 101.17 12.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 0.0 110.492 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.4 t70 -74.95 107.41 7.01 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -105.46 128.87 53.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.04 0.448 . . . . 0.0 111.88 -169.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -102.55 90.16 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.233 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 60.6 t -93.19 104.23 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.131 0.491 . . . . 0.0 110.409 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.67 104.17 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.454 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.134 -176.566 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 91.6 mmm -67.12 103.01 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.907 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 81' ' ' MET . 10.5 t-160 -103.8 103.56 13.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.734 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 49.9 p90 -142.05 161.99 36.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.473 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -113.44 141.19 47.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.331 0.586 . . . . 0.0 110.685 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 34.4 t -108.28 117.05 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.617 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 89.9 m-85 -81.85 111.82 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.183 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.411 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -133.23 156.31 47.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.427 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -99.13 -4.11 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.408 0.623 . . . . 0.0 109.612 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 28' ' ' ASP . 22.3 t -72.46 144.62 12.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.569 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 19.5 ptt-85 -98.97 16.8 21.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.303 0.573 . . . . 0.0 110.645 -176.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.569 ' H ' HG12 ' A' ' 26' ' ' VAL . 5.8 m-20 -119.58 123.47 44.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.594 -172.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.9 m-20 -66.45 -44.37 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.201 0.524 . . . . 0.0 109.804 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 27.4 tptp -64.93 -34.17 77.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.466 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 56.2 tptt -74.59 -38.36 62.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.905 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.59 90.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 29' ' ' ASP . 91.0 mt -53.36 -47.1 58.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.138 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -41.17 87.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HA ' HE21 ' A' ' 38' ' ' GLN . 60.0 m-85 -67.52 -41.46 84.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.627 0.251 . . . . 0.0 110.904 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.72 -42.35 97.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.548 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 52.4 mtpt -68.7 -29.78 68.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.421 HE21 ' HA ' ' A' ' 35' ' ' PHE . 41.6 mt-30 -59.9 -41.26 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.033 0.444 . . . . 0.0 110.263 174.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -68.5 -47.71 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.835 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 96.3 mt -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.69 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -60.11 -28.89 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 0.0 111.33 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 m -77.91 -40.34 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.8 pt -78.45 -20.95 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.336 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.163 177.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.029 0.442 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.31 99.5 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.645 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -105.93 -168.6 1.46 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.729 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 11.6 t -69.28 -2.46 10.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.221 0.534 . . . . 0.0 110.088 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -89.84 -35.04 15.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.157 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -80.94 -29.72 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.214 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 26.3 p -92.07 102.75 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.194 0.521 . . . . 0.0 110.438 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -97.84 108.31 20.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.609 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -69.72 103.8 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.8 m -80.38 -53.75 6.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.747 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -170.92 179.58 3.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.424 0.631 . . . . 0.0 111.687 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 49.9 m -140.07 112.35 7.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.563 171.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -124.29 -167.76 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.886 -173.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -61.44 117.23 5.42 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.255 0.55 . . . . 0.0 110.926 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -78.23 126.37 83.51 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.534 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.65 141.23 45.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.306 2.004 . . . . 0.0 111.161 172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.04 -21.31 61.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.653 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.35 -53.15 61.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.01 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -75.58 -22.09 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.425 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.77 -45.91 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.991 0.424 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.34 -42.21 88.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.475 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.55 79.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.27 -27.61 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -71.56 -31.17 66.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.45 -46.78 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.722 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -95.59 -28.06 15.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.67 74.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.328 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -160.47 163.26 33.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 72.9 t80 -146.72 106.62 3.98 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.299 175.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.2 mp -85.79 117.87 31.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 66.8 t80 -93.97 120.69 34.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.787 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -72.58 96.91 2.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 48.7 ttm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.412 HG23 ' HB2' ' A' ' 63' ' ' ALA . 27.0 pt -79.6 128.12 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.209 0.528 . . . . 0.0 110.994 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -92.1 114.75 27.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.16 112.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 69.4 m-85 -110.67 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.368 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -92.4 102.46 14.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -98.27 123.51 42.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.054 0.454 . . . . 0.0 111.36 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -91.31 86.05 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.702 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.25 102.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.988 0.423 . . . . 0.0 109.913 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 5.8 mptt -78.48 93.3 4.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.989 -175.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG13 ' HG3' ' A' ' 11' ' ' LYS . 21.3 t . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttp -80.2 119.67 23.28 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.219 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -109.65 126.88 54.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HA ' ' H ' ' A' ' 81' ' ' MET . 33.9 p90 -146.73 146.84 30.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.572 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 18.5 m-20 -84.55 115.77 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.558 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 43.2 t -91.75 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 65.0 m-85 -84.62 114.97 22.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.072 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 22' ' ' VAL . 18.8 p -120.25 151.36 39.27 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.978 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -90.61 -42.57 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.315 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.81 138.74 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.751 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -88.29 36.44 0.78 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.075 0.464 . . . . 0.0 110.916 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.86 133.53 54.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.329 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.8 -29.46 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 34.1 ttpt -78.05 -43.97 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 110.204 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HZ3' ' HZ ' ' A' ' 35' ' ' PHE . 56.4 tttm -61.74 -31.74 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.963 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . . . -66.77 -34.33 77.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.546 176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 51' ' ' THR . 67.6 mt -63.29 -45.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.346 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -55.75 -41.35 73.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 176.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 22.6 m-85 -58.85 -46.77 86.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.761 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.59 -42.08 95.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.983 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 8.9 mtpm? -65.63 -36.13 82.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.242 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 48.9 mt-30 -62.38 -42.07 99.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.65 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -68.08 -38.93 82.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 68.3 mt -60.3 -40.42 90.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.636 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 m -63.36 -34.58 78.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.613 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 m -66.68 -47.29 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -79.7 -24.95 12.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.698 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.221 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.959 0.409 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.29 120.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.03 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.496 ' HA ' HD13 ' A' ' 33' ' ' ILE . 11.9 t -145.02 -168.8 3.03 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.778 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -51.3 -41.19 60.32 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.929 0.891 . . . . 0.0 112.685 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 51' ' ' THR . 36.8 tt0 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 111.048 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.06 -48.26 9.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.011 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 6.9 t -93.85 92.63 7.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.15 125.54 35.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.907 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -72.19 126.02 28.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.461 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.6 m -100.01 -73.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.89 176.76 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.653 0.74 . . . . 0.0 111.93 -173.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -123.39 107.23 11.39 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' OE2' ' HG2' ' A' ' 62' ' ' LYS . 10.7 tp10 -117.95 163.36 16.69 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.902 0.382 . . . . 0.0 111.11 -164.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' ' OE2' ' A' ' 61' ' ' GLU . 17.5 pttm -59.38 132.23 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.74 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -88.54 120.06 70.23 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.572 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.75 146.86 96.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.026 2.484 . . . . 0.0 111.549 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.3 -38.84 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.995 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.75 -48.9 77.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 m -70.86 -17.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.0 mm -53.44 -60.35 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.463 0.649 . . . . 0.0 110.603 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 38.0 mt-10 -71.15 -35.85 71.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.812 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.57 93.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.251 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -37.09 78.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.804 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -61.94 -34.71 76.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.834 0.349 . . . . 0.0 111.783 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 30.6 mm-40 -73.92 -40.5 63.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.062 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -109.99 -24.54 10.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 -9.14 56.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -158.94 168.84 25.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.469 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 91.1 t80 -136.57 124.05 22.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.564 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.6 mm -96.22 107.41 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.981 0.42 . . . . 0.0 110.635 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.6 t80 -105.82 117.92 35.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.506 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -76.12 92.2 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 111.001 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.422 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 26.8 ttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.21 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 63' ' ' ALA . 23.2 pt -78.59 122.24 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.473 0.654 . . . . 0.0 111.224 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 27' ' ' ARG . 12.6 m170 -89.74 128.36 36.1 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.773 172.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 23' ' ' PHE . 52.3 t -94.29 103.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.335 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -97.57 102.22 13.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.227 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' CG ' ' HE2' ' A' ' 19' ' ' HIS . 10.9 t70 -69.82 112.76 6.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.073 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -112.27 116.48 30.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.073 0.463 . . . . 0.0 111.838 -173.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -96.37 109.12 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.954 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -107.92 109.54 28.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 110.108 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -87.36 80.88 8.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.885 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 69.6 mtp -85.78 131.75 34.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 -175.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' HE2' ' CG ' ' A' ' 7' ' ' ASP . 26.8 t-80 -125.15 99.54 6.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.391 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.96 147.46 52.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -96.19 120.13 35.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 110.994 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -88.05 110.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.014 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 23.0 m-85 -94.29 118.75 32.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.19 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.49 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.0 t -151.49 157.69 42.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.29 174.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -83.12 -19.22 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 28' ' ' ASP . 64.1 t -57.87 126.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.422 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 67.6 mtm-85 -98.06 23.38 8.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.986 -172.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.3 t70 -112.43 139.71 47.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.388 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' ILE . 7.9 p-10 -76.21 -47.11 25.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 64.6 pttt -73.95 -26.12 60.32 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.614 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 4.6 mmtm -65.77 -43.78 87.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.219 173.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.072 0.463 . . . . 0.0 110.133 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 30' ' ' LYS . 83.1 mt -58.27 -48.45 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.441 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 48.9 mt-10 -56.54 -45.45 81.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.642 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' A' ' 76' ' ' TYR . 22.0 m-85 -56.17 -44.43 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.153 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -67.94 -42.67 80.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.971 0.415 . . . . 0.0 110.875 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -62.02 -36.81 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.376 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 19.0 mm-40 -59.25 -35.95 74.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -82.64 -42.83 17.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.847 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 95.6 mt -58.4 -45.57 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.724 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -69.14 -25.23 64.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.695 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 p -88.71 -28.71 20.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.416 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -80.76 -32.15 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.941 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.749 174.102 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 33' ' ' ILE . 48.4 t -108.77 107.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 0.0 111.691 -173.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 p -111.42 -164.64 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -76.63 -3.99 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.469 . . . . 0.0 110.353 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -85.36 -29.76 24.2 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.09 -49.89 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.228 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 t -101.75 109.94 21.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -118.76 132.24 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.605 -173.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -72.8 113.72 10.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.0 m -105.48 -62.79 1.31 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.4 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -143.35 179.98 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.296 0.57 . . . . 0.0 111.55 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 m -139.38 160.13 40.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.4 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.43 176.9 11.55 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.477 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -57.5 141.15 48.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.34 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -113.56 108.41 51.94 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.499 -176.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 68' ' ' ILE . 28.9 Cg_endo -64.67 150.52 88.06 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.388 2.059 . . . . 0.0 111.362 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.08 -25.94 61.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.576 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.8 m -82.28 -23.63 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.36 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 64' ' ' PRO . 34.9 mm -58.71 -52.86 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.257 176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.24 -31.95 71.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.657 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -46.67 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.107 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 24' ' ' THR . 62.0 mt -71.02 -38.04 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.366 0.603 . . . . 0.0 110.06 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -60.35 -33.53 72.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.922 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -88.06 -53.57 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -97.51 -17.3 19.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -171.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.24 -20.74 46.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.595 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' PHE . 42.1 p90 -154.26 147.88 25.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 69.5 t80 -115.5 113.89 24.27 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -85.91 98.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.242 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -84.33 98.75 10.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -70.4 100.29 1.73 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.83 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 111.977 -174.719 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 63' ' ' ALA . 5.3 pt -138.71 136.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.762 175.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 24' ' ' THR . 15.7 m170 -83.71 117.69 23.39 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -93.27 111.09 24.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.062 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 85.5 m-85 -108.81 99.72 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.95 88.87 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 28.1 m -83.87 118.25 23.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -170.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.87 107.66 19.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.248 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.6 t -107.5 115.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.166 0.508 . . . . 0.0 110.14 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.66 102.2 12.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.331 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.152 -179.304 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.347 0.594 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.445 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 78.0 mtp -80.64 90.37 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.861 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.759 ' HA ' ' O ' ' A' ' 8' ' ' THR . 12.4 p80 -105.63 130.06 53.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 110.133 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.4 166.92 23.43 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.079 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 13.0 m-20 -95.96 107.96 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 110.492 -175.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.6 t -84.91 98.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 68.9 m-85 -84.16 107.44 16.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.407 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 9.5 t -151.49 146.79 26.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -113.66 8.7 17.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.424 0.63 . . . . 0.0 109.962 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.45 111.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -76.04 76.57 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.679 -175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.615 ' OD2' ' HG2' ' A' ' 31' ' ' LYS . 51.9 t0 -149.56 114.1 5.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.96 -35.32 68.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.703 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 13.7 pttp -87.54 -13.69 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.102 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.615 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 25.6 mmtm -67.01 -36.78 82.91 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.62 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.004 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.16 -48.27 55.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.717 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 45.3 mt-10 -62.72 -40.55 97.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.53 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.94 -38.42 86.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.308 . . . . 0.0 110.778 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HE2' ' HB ' ' A' ' 50' ' ' VAL . 70.0 mmtt -57.45 -37.31 72.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.73 -49.99 75.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.973 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.19 -39.11 89.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.23 -41.15 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -64.1 -31.04 72.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 0.0 110.642 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -69.42 -45.59 68.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.765 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 pt -78.52 -23.44 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.575 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.726 176.542 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 11.0 m . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.491 ' HB ' ' HE2' ' A' ' 37' ' ' LYS . 40.1 t -130.03 96.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.478 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.2 p -109.86 -167.0 1.14 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -68.42 -9.44 48.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.62 -32.5 18.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 49' ' ' THR . 4.9 mp0 -80.74 -46.82 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.3 t -101.19 90.31 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -106.89 154.27 21.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.24 0.543 . . . . 0.0 111.625 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -79.01 105.82 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.405 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.73 -59.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.825 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.33 179.59 0.78 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 23.8 m -118.97 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.619 172.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -134.4 -175.53 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -77.99 135.05 37.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.057 0.456 . . . . 0.0 110.866 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -86.06 118.44 70.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.411 -173.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.72 149.38 78.79 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.422 2.082 . . . . 0.0 110.599 170.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' HG12 ' A' ' 68' ' ' ILE . 3.6 m-20 -64.23 -11.46 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.53 -37.08 82.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.7 m -95.86 -10.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 65' ' ' ASP . 44.9 mm -59.97 -56.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.614 0.245 . . . . 0.0 110.704 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.22 -43.53 67.32 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.59 -50.81 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.902 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' O ' ' HA2' ' A' ' 75' ' ' GLY . 63.1 mt -71.24 -32.87 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.097 0.475 . . . . 0.0 111.04 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 35.4 ttpt -72.47 -40.68 66.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.157 0.503 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -86.02 -60.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.627 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.36 -28.7 19.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.46 -6.43 57.6 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.257 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -155.82 153.55 29.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.823 0.344 . . . . 0.0 111.02 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 84.0 t80 -138.75 112.23 8.19 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.63 112.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 110.238 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 81.3 t80 -96.12 117.32 30.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 173.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -73.16 82.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.88 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.1 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.197 -177.383 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 63' ' ' ALA . 4.4 pt -83.26 128.48 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.201 0.524 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -90.23 107.41 19.12 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -87.04 112.32 22.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.149 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 52.3 m-85 -93.17 113.0 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.422 0.629 . . . . 0.0 110.841 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.692 ' HB2' ' HB2' ' A' ' 58' ' ' CYS . 22.6 t70 -74.38 96.09 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.5 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 m -107.23 123.69 48.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.134 0.493 . . . . 0.0 112.15 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -105.7 115.51 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.473 171.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.51 111.48 35.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.989 0.423 . . . . 0.0 110.076 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -82.67 80.89 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.302 -176.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.834 177.632 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.231 0.086 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.1 mtm -84.53 128.26 34.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.337 -173.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -113.32 127.68 56.22 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.669 ' HA ' ' HG3' ' A' ' 81' ' ' MET . 38.8 p90 -153.5 160.91 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.672 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.486 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 40.6 m-20 -95.86 117.92 31.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.575 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.9 t -94.54 102.8 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 72.7 m-85 -92.8 114.99 27.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.348 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -142.39 154.57 44.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.958 0.408 . . . . 0.0 110.649 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.58 -13.2 40.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.87 109.21 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.458 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -86.06 85.58 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 13.9 t70 -136.54 128.34 29.13 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.79 -38.92 76.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.922 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -83.99 -40.21 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.612 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.596 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 68.5 mmtt -65.67 -35.75 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.18 77.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 0.0 110.36 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.745 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 8.8 tp10 -55.56 -50.03 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.731 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -41.17 97.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.88 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -77.0 -23.56 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.689 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 22.5 mt-30 -62.5 -40.94 98.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -66.74 -44.07 82.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.074 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.75 -41.01 81.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.173 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -70.9 -24.62 62.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.99 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 m -81.17 -29.02 34.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.099 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.5 pt -94.17 0.1 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.152 176.552 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.6 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.98 111.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.0 p -105.21 -169.06 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -72.31 -11.31 60.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.331 0.586 . . . . 0.0 110.224 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -82.86 -34.05 26.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HG3' ' HE3' ' A' ' 11' ' ' LYS . 7.6 mp0 -77.84 -46.26 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.9 t -93.99 91.58 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 29.8 mtp180 -88.33 168.06 13.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.805 -175.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -100.65 112.18 24.53 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 24.5 t -79.95 -66.02 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.199 -176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -174.12 -178.76 1.53 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.694 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 m -130.11 130.84 45.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.376 175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -144.87 170.8 15.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.886 0.374 . . . . 0.0 111.111 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -70.66 124.32 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.791 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.637 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.77 135.66 55.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.447 -172.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' ILE . 60.1 Cg_endo -75.33 149.38 35.32 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.553 2.169 . . . . 0.0 111.151 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 24.3 t70 -55.2 -27.29 44.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.868 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.39 -40.88 62.63 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.79 -11.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.506 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 46.5 mm -61.79 -49.1 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.089 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.7 -28.39 68.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.728 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.49 -54.65 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.213 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.57 -33.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.197 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -74.51 -12.99 60.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.052 0.453 . . . . 0.0 110.647 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -97.58 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -88.49 -46.32 9.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.438 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.18 -6.88 8.7 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.111 -1.042 . . . . 0.0 113.431 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -151.56 126.18 9.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.307 0.554 . . . . 0.0 111.225 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 65.2 t80 -108.09 115.18 29.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.74 111.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.124 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.486 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.8 t80 -103.04 107.38 18.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -72.38 100.5 2.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.669 ' HG3' ' HA ' ' A' ' 20' ' ' PHE . 67.0 mtp . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.447 0.642 . . . . 0.0 109.652 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.613 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.4 pt -82.54 104.08 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.241 0.543 . . . . 0.0 111.435 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -72.61 107.25 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 20.0 t -85.04 120.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 123.365 0.416 . . . . 0.0 110.271 -175.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.562 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 96.9 m-85 -113.7 106.52 14.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.625 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 56' ' ' ARG . 4.9 m-20 -71.89 90.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 21.6 m -94.34 115.68 27.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -100.8 98.36 8.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.803 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 40' ' ' LEU . 41.5 t -99.57 113.86 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.0 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpm? -85.6 124.78 32.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.557 -177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.735 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.143 0.497 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.05 100.73 11.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.961 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.1 p80 -111.49 116.3 30.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.064 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -132.31 156.8 45.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.452 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 6.4 m-20 -84.82 112.79 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.1 t -96.31 113.83 31.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.965 175.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 79.2 m-85 -104.52 119.72 39.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -137.07 148.0 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -92.04 -30.9 15.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.17 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 31' ' ' LYS . 47.3 t -61.04 124.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.155 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.4 80.81 5.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.881 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 15.8 t70 -160.89 134.02 6.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.26 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -76.87 -38.79 53.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.981 0.419 . . . . 0.0 110.414 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -64.25 -43.94 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.4 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HG3' HG11 ' A' ' 26' ' ' VAL . 36.8 mmtm -57.05 -42.61 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.4 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.15 -43.13 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.61 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 3.5 tp10 -53.82 -52.99 58.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.425 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.8 -39.72 83.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.008 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.64 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.85 -33.14 74.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.895 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 25.5 mt-30 -60.08 -38.27 82.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 0.0 110.298 174.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -71.22 -45.84 62.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.252 0.549 . . . . 0.0 109.998 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 HG21 ' A' ' 10' ' ' VAL . 49.5 mt -63.65 -32.0 73.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -77.53 -29.6 52.44 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.044 -0.41 . . . . 0.0 110.544 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.8 m -66.59 -38.37 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.81 -3.32 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.874 0.369 . . . . 0.0 111.096 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.471 175.787 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.678 0.275 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.5 t -122.7 109.46 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -164.09 0.91 Allowed 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 m -70.21 -5.64 28.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 0.0 110.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 -49.35 8.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.252 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -71.19 -36.62 72.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 14.3 t -92.27 97.61 10.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 96.4 mtt180 -87.63 113.69 23.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.699 -174.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -78.21 116.56 18.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.525 ' SG ' ' HB ' ' A' ' 5' ' ' VAL . 6.6 p -99.35 -57.92 2.05 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -162.61 179.27 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.0 111.752 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 m -134.0 120.88 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.003 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.04 168.09 17.26 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.417 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.04 114.14 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.657 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -70.42 144.72 92.14 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.751 -171.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 67' ' ' VAL . 24.2 Cg_exo -63.92 143.65 86.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.691 2.261 . . . . 0.0 110.715 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.96 -25.75 67.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.974 0.416 . . . . 0.0 111.479 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 64' ' ' PRO . 22.1 m -81.41 -12.78 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.25 -175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 64' ' ' PRO . 45.5 mm -60.88 -48.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -23.67 61.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.0 -51.64 15.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.094 0.474 . . . . 0.0 110.367 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.19 -26.67 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.152 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 34.6 ttpt -57.67 -39.86 78.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.406 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.94 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -91.04 -42.36 10.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.802 -173.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -85.11 -33.84 22.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.958 0.409 . . . . 0.0 111.322 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.59 -6.2 70.62 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -160.29 170.05 21.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.995 -0.602 . . . . 0.0 109.503 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.8 t80 -146.69 125.24 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.3 111.72 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 69.0 t80 -91.16 119.72 31.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.9 87.52 0.72 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.1 ttm . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.44 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 63' ' ' ALA . 3.3 pt -109.21 126.82 66.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.408 0.623 . . . . 0.0 110.973 176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -89.48 106.57 18.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.635 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.71 103.24 7.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.368 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -94.89 105.12 17.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.016 0.436 . . . . 0.0 110.886 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.807 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 48.7 t0 -71.3 103.7 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.216 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 11.9 m -103.51 102.32 12.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 48.1 m-85 -83.86 106.9 15.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 95.1 t -107.49 109.25 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.405 0.622 . . . . 0.0 109.754 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -78.6 101.06 7.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.041 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.381 0.61 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.503 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 65.9 mmm -84.18 101.45 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -101.16 102.51 13.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.62 0.724 . . . . 0.0 110.002 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 46.0 p90 -117.87 140.9 49.05 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -96.24 118.82 33.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.9 t -85.4 101.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.739 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 95.4 m-85 -84.07 115.64 22.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.786 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.405 HG23 HG12 ' A' ' 22' ' ' VAL . 12.5 p -132.07 145.51 51.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.9 -23.63 22.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.559 0.695 . . . . 0.0 109.48 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.3 143.44 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.869 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -99.69 36.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 111.21 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.96 120.3 41.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.454 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.94 -44.62 60.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.79 -173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -75.32 -27.13 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.573 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -57.93 -46.92 84.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.419 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.51 83.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.621 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 55' ' ' CYS . 67.8 mt -63.85 -45.96 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.594 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.88 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.87 -40.59 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 110.437 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.49 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.601 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.65 -31.23 71.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.12 -36.92 82.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.24 0.543 . . . . 0.0 109.546 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -67.62 -40.84 84.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.868 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.97 -28.7 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 t -74.87 -36.94 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -80.44 -22.6 40.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.1 pt -87.32 -7.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.691 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.939 176.485 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -114.37 120.95 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.686 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.1 p -132.67 -161.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.02 176.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -69.58 -11.27 60.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -44.2 16.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 36.1 mp0 -73.95 -46.99 40.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.923 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.7 t -100.72 109.53 21.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -117.31 167.73 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -100.64 120.6 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.084 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.807 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 63.1 m -79.91 -69.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.995 0.426 . . . . 0.0 110.181 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -174.01 -179.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.7 m -109.24 129.07 55.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.458 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.95 173.75 11.23 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.668 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -79.72 126.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.288 0.566 . . . . 0.0 110.113 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.23 138.06 56.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.826 -170.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 Cg_exo -71.77 149.01 53.6 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.877 2.385 . . . . 0.0 110.664 168.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 68' ' ' ILE . 7.6 p-10 -57.12 -31.18 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.25 -39.33 94.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.3 m -82.43 -25.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.617 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' ASP . 95.8 mt -66.02 -52.0 53.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.985 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.48 -22.12 61.11 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.022 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.45 53.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.58 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 67' ' ' VAL . 82.6 mt -69.46 -38.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.37 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.62 -25.22 68.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.13 0.491 . . . . 0.0 110.732 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -84.77 -53.07 5.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.65 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -98.13 -20.44 17.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.32 -25.75 27.03 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.829 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -149.59 152.12 34.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 69.8 t80 -123.76 112.76 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.204 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.27 98.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.058 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 73.9 t80 -97.33 103.26 15.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.474 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 3.8 mppt? -67.44 102.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -170.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 2' ' ' GLN . 20.6 mt-30 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.905 0.384 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.683 ' O ' ' HA ' ' A' ' 60' ' ' SER . 12.4 pt -121.7 154.46 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -95.65 108.31 20.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 23' ' ' PHE . 82.6 t -89.61 112.44 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.147 0.498 . . . . 0.0 110.975 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -103.28 101.13 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.013 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 56' ' ' ARG . 9.8 t0 -67.69 104.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.142 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -102.76 125.27 49.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 0.0 111.813 -172.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -103.74 85.24 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 75.1 t -92.02 89.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.686 0.755 . . . . 0.0 109.41 176.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 37.1 ttpt -83.04 112.32 19.68 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.103 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 48.7 t . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.618 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 74.3 mmm -71.68 88.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -97.24 114.65 26.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.001 0.429 . . . . 0.0 110.026 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.11 152.15 36.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.525 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 39.0 m-20 -96.08 119.86 35.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.988 0.423 . . . . 0.0 110.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 24' ' ' THR . 61.6 t -91.02 108.23 19.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.938 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 20.6 m-85 -90.52 117.03 28.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.729 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 22' ' ' VAL . 22.6 p -131.43 163.04 28.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.9 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -107.19 -4.46 18.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.299 0.571 . . . . 0.0 109.856 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 28' ' ' ASP . 43.2 t -78.59 146.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.102 -175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -98.84 22.09 10.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.5 t70 -121.47 122.91 40.8 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' HG13 ' A' ' 33' ' ' ILE . 3.4 m-20 -61.48 -47.48 85.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.578 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -66.95 -35.95 81.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.672 -175.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.43 -48.33 79.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 175.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.12 95.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 29' ' ' ASP . 78.6 mt -58.17 -49.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.277 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 73.4 mm-40 -62.51 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.393 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.44 -45.29 93.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.633 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.38 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.054 0.454 . . . . 0.0 110.172 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 10.4 mtpm? -62.94 -43.56 98.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.68 -34.01 76.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.756 0.313 . . . . 0.0 110.794 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 43' ' ' ILE . 52.4 t90 -65.29 -42.9 92.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 43' ' ' ILE . 96.9 mt -64.29 -39.82 94.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.795 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 m -60.02 -44.21 94.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 111.388 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -73.85 -26.18 60.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.98 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' TRP . 23.2 pt -91.83 -30.17 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.476 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.166 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.64 177.59 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 51' ' ' THR . 30.6 m . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 121.096 0.474 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -80.68 103.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.382 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 49' ' ' THR . 69.8 p -112.76 -174.27 2.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.79 177.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 p -70.89 1.12 5.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 111.09 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.51 -29.27 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.22 -26.35 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.566 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 28.9 p -105.03 111.76 24.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.338 0.59 . . . . 0.0 110.608 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 26.9 ttp180 -97.18 100.31 11.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -69.05 111.63 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.0 m -76.71 -67.38 0.71 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.1 p80 177.64 -164.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.41 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 11.5 t -112.35 123.62 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -125.03 175.96 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.04 122.69 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.899 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 3' ' ' ILE . . . -107.82 153.24 41.69 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.036 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' ILE . 6.7 Cg_exo -74.11 146.63 36.92 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.627 2.218 . . . . 0.0 110.96 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -21.36 61.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -55.26 -47.3 75.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.133 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 71' ' ' ILE . 30.6 m -88.62 -18.38 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.366 -175.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 63' ' ' ALA . 43.6 mm -60.04 -48.83 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.52 -34.2 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.78 82.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 67' ' ' VAL . 64.7 mt -67.55 -32.53 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.254 0.55 . . . . 0.0 110.354 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -72.27 -34.24 68.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -83.65 -56.42 3.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.562 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -81.54 -33.28 31.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.11 -13.25 40.74 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.71 159.51 24.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.322 -0.439 . . . . 0.0 109.986 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 64.3 t80 -126.8 126.06 42.75 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 172.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.69 102.41 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.983 0.421 . . . . 0.0 110.489 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 78.7 t80 -85.07 92.56 8.39 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.04 98.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -177.782 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 12.3 pm0 . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -93.42 121.88 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.284 0.564 . . . . 0.0 111.913 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.01 113.34 22.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.788 171.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.7 t -83.57 111.1 19.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -102.89 115.41 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.687 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.764 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.1 t70 -78.69 94.18 5.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 19.3 m -95.61 112.23 23.99 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.668 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -108.23 104.73 14.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.433 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -109.91 112.95 42.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.089 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -84.73 103.27 13.67 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.811 -173.728 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.09 0.472 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.1 mmm -87.52 97.66 10.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.423 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.684 ' HA ' ' O ' ' A' ' 8' ' ' THR . 8.2 p80 -126.48 120.45 29.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.678 0.752 . . . . 0.0 111.264 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.14 164.02 32.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.922 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 9.7 m-20 -95.83 114.59 26.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.461 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 24' ' ' THR . 48.7 t -91.82 105.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.004 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 44.8 m-85 -87.75 112.69 22.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 HG12 ' A' ' 22' ' ' VAL . 19.1 p -118.85 121.95 41.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.496 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 9.9 t70 -81.12 -29.71 34.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.412 0.625 . . . . 0.0 109.619 172.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.58 114.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.083 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 27' ' ' ARG . 13.5 ttp180 -79.89 88.48 5.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.666 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 10.1 t70 -161.48 135.5 6.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.822 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.52 -26.47 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.666 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 25.1 pttm -90.45 -31.16 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.127 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 27.7 mmmt -61.22 -42.91 99.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.48 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 55' ' ' CYS . 88.6 mt -61.0 -48.7 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.742 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 25.3 mm-40 -65.08 -37.11 86.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.791 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -57.97 -43.73 86.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.622 0.248 . . . . 0.0 111.069 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.88 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 110.514 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.59 -33.82 76.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.342 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 28.9 mt-30 -58.22 -35.33 71.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -74.21 -37.92 63.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.243 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.62 -37.78 82.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 t -67.65 -39.47 84.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.03 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -70.03 -39.24 75.89 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.416 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.6 pt -75.94 -22.58 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.019 0.437 . . . . 0.0 110.636 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.411 173.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.8 0.333 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 33' ' ' ILE . 75.5 t -106.58 99.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -114.78 -173.04 2.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.763 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.418 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 8.9 m -66.21 -13.56 60.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 0.0 110.826 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.96 -25.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.29 -42.19 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.183 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 33' ' ' ILE . 15.4 p -98.73 96.01 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.7 ptt180 -100.23 145.69 27.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.514 -178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -83.28 134.02 34.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.121 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.4 m -100.96 -70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -163.57 177.56 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.926 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -123.53 130.55 52.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.106 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -138.87 174.0 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.073 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -68.97 122.87 19.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.596 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -87.13 129.24 52.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.042 -177.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' O ' HG12 ' A' ' 68' ' ' ILE . 51.1 Cg_exo -54.96 142.87 75.04 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.481 2.121 . . . . 0.0 111.103 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.92 -21.79 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 111.293 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.51 -51.96 60.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.802 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.9 m -71.65 -20.68 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.449 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 63' ' ' ALA . 44.2 mm -58.95 -44.87 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.139 0.495 . . . . 0.0 110.105 175.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 37.1 tt0 -70.85 -33.26 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.67 78.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.04 -33.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.0 ttmm -50.71 -39.54 51.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.188 0.518 . . . . 0.0 111.023 174.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -87.81 -47.27 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.256 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -96.44 -29.48 13.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -171.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.82 -6.55 62.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -159.62 166.49 30.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 85.3 t80 -136.67 126.66 25.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.98 101.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 36.1 t80 -84.25 110.09 18.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -76.88 89.27 3.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 42.1 ttm . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.105 0.478 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 63' ' ' ALA . 6.5 pt -96.07 124.54 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -89.61 122.51 32.81 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -94.6 110.38 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.88 0.738 . . . . 0.0 111.149 -172.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -108.9 98.28 7.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.16 105.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -96.58 116.8 29.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 18' ' ' MET . 83.6 m-85 -100.83 110.96 23.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.944 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 97.5 t -107.74 114.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.248 0.547 . . . . 0.0 110.062 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -75.95 84.19 2.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.972 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 9' ' ' TYR . 58.2 mtt -79.6 127.44 32.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' A' ' 81' ' ' MET . 16.3 t-160 -119.3 110.58 17.15 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 169.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -136.95 145.92 44.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -96.26 119.91 35.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 111.019 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.98 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.956 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 27.8 m-85 -91.57 123.56 35.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.111 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -151.39 155.39 38.55 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.628 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -11.74 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.509 178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.65 100.26 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.572 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -86.0 63.52 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.594 0.711 . . . . 0.0 111.02 -176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 1.1 m-20 -112.96 122.05 46.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.298 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.53 -36.61 78.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.465 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.4 -41.48 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 63.6 mmtt -66.04 -38.22 87.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.258 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -49.65 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.155 0.502 . . . . 0.0 110.473 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG22 ' HE2' ' A' ' 37' ' ' LYS . 85.1 mt -64.82 -43.06 96.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.779 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.6 tt0 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.663 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.94 -38.85 92.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.64 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HE2' HG22 ' A' ' 33' ' ' ILE . 57.6 mtmt -70.97 -29.52 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.4 mm100 -64.86 -45.8 84.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.0 110.071 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -65.04 -45.01 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.386 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' ILE . 84.1 mt -58.5 -37.95 76.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -62.51 -44.56 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.8 m -65.72 -44.94 84.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.738 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 40' ' ' LEU . 44.7 pt -74.49 -9.44 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.857 176.276 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.524 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 23.8 t -82.55 118.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.411 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 80.6 p -134.31 -170.18 2.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.236 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -67.87 -13.69 62.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -81.99 -34.15 29.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.254 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG3' ' HA ' ' A' ' 50' ' ' VAL . 8.2 mm-40 -82.62 -49.02 10.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.914 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.1 p -93.5 128.74 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.682 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -119.64 120.29 36.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.704 0.288 . . . . 0.0 110.814 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.3 106.42 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.0 m -90.67 -57.69 2.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.837 -176.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -159.31 179.9 8.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.369 0.604 . . . . 0.0 111.883 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 m -132.31 146.86 52.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.527 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.91 166.85 27.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.751 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 147.97 43.9 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -117.96 131.36 24.19 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.262 -168.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' HG22 ' A' ' 67' ' ' VAL . 25.1 Cg_exo -63.16 139.67 73.76 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.537 2.158 . . . . 0.0 110.702 171.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.96 -26.9 67.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.992 0.425 . . . . 0.0 110.765 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.09 -46.16 85.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.604 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 64' ' ' PRO . 18.2 m -77.15 -27.66 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.191 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 63' ' ' ALA . 45.6 mm -62.11 -37.51 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 5.6 tp10 -53.71 -38.42 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.54 22.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 67' ' ' VAL . 78.7 mt -61.42 -40.08 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.491 -177.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 69' ' ' GLU . 48.3 mtmt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.882 0.372 . . . . 0.0 111.659 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -90.48 -48.19 7.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.666 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -81.42 -32.9 32.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 111.368 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.41 -11.5 68.7 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -156.84 159.73 38.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 77.3 t80 -128.86 109.59 11.4 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -82.21 97.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.473 . . . . 0.0 110.427 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -79.31 98.66 6.77 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.01 96.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.708 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.0 ttm . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.573 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.347 0.594 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 23' ' ' PHE . 11.7 pt -78.62 130.42 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.847 -173.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.484 ' HA ' ' HE1' ' A' ' 57' ' ' PHE . 18.6 m170 -82.14 108.17 15.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' NE2' ' A' ' 59' ' ' HIS . 14.7 t -97.87 112.56 30.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.518 -173.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 86.3 m-85 -101.73 88.34 3.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.807 174.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.686 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 21.9 t0 -71.99 99.4 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 17.6 m -88.05 114.29 24.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.927 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -84.46 87.3 7.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.322 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 40' ' ' LEU . 58.0 t -90.71 107.33 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.51 101.72 3.63 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.381 -173.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.095 0.474 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 63.6 mmm -96.2 90.54 5.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.988 175.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' HA ' ' O ' ' A' ' 8' ' ' THR . 6.0 p80 -110.41 150.14 29.25 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' ASP . 34.3 p90 -155.31 157.84 37.81 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.683 -172.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 6.3 m-20 -96.0 108.02 20.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.189 0.519 . . . . 0.0 110.354 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.5 t -81.16 103.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.566 174.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 3' ' ' ILE . 23.7 m-85 -91.47 118.47 30.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.8 t -148.66 142.3 25.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.433 171.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -88.08 -16.5 33.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.441 0.639 . . . . 0.0 109.714 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.12 139.71 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.071 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -97.52 87.94 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -162.91 105.63 1.04 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.573 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.067 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -70.68 -33.19 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.396 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -69.01 -39.15 79.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.444 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.98 97.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 0.0 110.063 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 50' ' ' VAL . 83.4 mt -58.83 -42.5 85.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.374 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 10.2 tp10 -55.78 -49.48 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.442 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' HA ' HE21 ' A' ' 38' ' ' GLN . 24.3 m-85 -62.56 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.13 81.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.515 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 10.4 mtmp? -64.71 -33.2 75.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 35' ' ' PHE . 45.3 mt-30 -72.15 -29.87 64.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.66 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -76.52 -43.77 37.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.227 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 10' ' ' VAL . 85.9 mt -63.43 -33.65 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.668 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -74.07 -29.77 62.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 0.0 110.783 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -75.01 -36.11 61.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.36 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.0 pt -80.72 -17.53 12.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.579 175.073 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 33' ' ' ILE . 15.9 t -70.49 99.4 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.541 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -140.13 -168.66 2.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.007 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -67.72 0.67 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 0.0 111.334 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.56 -50.44 8.8 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 120.918 0.389 . . . . 0.0 110.608 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -94.06 -32.22 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.0 t -104.45 106.93 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 95.6 mtt180 -130.09 164.13 25.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' HE1' ' HA ' ' A' ' 4' ' ' HIS . 75.6 t80 -84.71 99.27 10.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 83.4 m -86.88 -43.88 12.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.119 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' NE2' HG11 ' A' ' 5' ' ' VAL . 2.2 p80 -154.11 164.8 37.91 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.71 0.767 . . . . 0.0 112.689 -177.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m -109.51 118.33 36.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.899 -1.501 . . . . 0.0 107.285 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HB3' HD11 ' A' ' 3' ' ' ILE . 16.9 tp10 -118.11 147.05 43.67 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.798 -169.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -77.61 103.71 7.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -72.37 123.32 89.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.996 -174.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 68' ' ' ILE . 48.7 Cg_endo -70.58 159.41 52.88 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.446 2.098 . . . . 0.0 111.378 172.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.15 -33.39 62.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.768 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.27 -53.7 52.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.719 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -74.81 -24.41 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.042 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.9 mm -57.61 -46.9 86.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.058 0.456 . . . . 0.0 109.781 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.51 -48.68 80.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.656 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.17 89.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.805 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 23' ' ' PHE . 81.9 mt -68.77 -39.41 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.99 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.47 -30.76 71.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.792 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.49 -49.61 9.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.842 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -95.46 -27.61 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -172.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.99 30.22 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -155.76 156.64 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.529 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 76.7 t80 -132.79 119.47 20.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.4 mm -90.46 108.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -104.47 113.57 27.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -79.16 108.59 12.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.8 ttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 109.902 179.265 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.984 0.421 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.8 pt -88.88 133.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.269 0.557 . . . . 0.0 110.965 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -90.17 106.84 18.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.65 105.19 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.73 104.58 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.61 96.86 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -93.15 124.21 36.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.227 0.537 . . . . 0.0 112.146 -167.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.46 102.19 12.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.575 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.464 HG23 HG22 ' A' ' 8' ' ' THR . 94.7 t -115.88 109.12 27.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 61.8 tttm -90.15 126.1 35.68 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.858 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.464 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 15.4 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mtp -79.89 113.34 17.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.215 0.531 . . . . 0.0 110.031 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -103.15 102.7 12.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.04 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -136.79 133.45 35.98 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.86 0.362 . . . . 0.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -95.96 129.43 43.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.486 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 24' ' ' THR . 41.7 t -99.53 115.18 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.578 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 83.4 m-85 -88.07 115.51 25.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.976 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 HG12 ' A' ' 22' ' ' VAL . 31.8 p -126.01 148.27 49.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.114 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -93.03 -42.56 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.29 126.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.273 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -74.91 88.28 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.989 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -168.26 136.66 2.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.087 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -90.13 -32.34 16.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 25.8 ttpp -64.6 -44.28 91.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 35' ' ' PHE . 15.4 ttmm -66.34 -27.61 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.26 99.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 109.741 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG12 ' SG ' ' A' ' 55' ' ' CYS . 66.2 mt -61.99 -44.75 99.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.142 175.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 42.0 mt-10 -56.98 -47.38 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.503 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CE2' ' HG2' ' A' ' 31' ' ' LYS . 18.7 m-85 -64.97 -42.09 94.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.964 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.87 -48.11 83.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' ' 33' ' ' ILE . 56.6 mtmt -66.65 -39.36 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.313 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 29.0 mt-30 -59.82 -45.51 92.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.437 177.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -64.38 -45.85 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.62 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.3 mt -58.39 -43.23 88.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.649 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -65.15 -33.92 77.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.627 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t -68.92 -40.77 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.2 pt -86.91 -9.47 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.167 175.638 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -119.03 105.04 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.697 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -111.72 -174.89 2.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 173.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.447 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 36.3 t -68.06 -5.03 15.41 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.83 -40.95 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.38 -37.06 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.3 p -93.14 93.48 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 0.0 109.808 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -101.8 123.5 45.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.592 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 92.6 t80 -78.07 105.49 9.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.703 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 78.6 m -83.94 -52.53 6.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.094 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -159.15 177.19 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.356 0.598 . . . . 0.0 111.46 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.592 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 9.2 t -139.47 131.37 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.642 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.27 177.57 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.19 125.76 28.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.66 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -75.92 139.75 69.91 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.454 -173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 40.8 Cg_exo -57.54 145.73 87.45 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.674 2.249 . . . . 0.0 110.492 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' A' ' 68' ' ' ILE . 20.5 t70 -62.95 -32.64 74.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -166.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -80.5 -27.66 37.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.051 -0.406 . . . . 0.0 111.588 -175.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.4 m -76.4 -24.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.127 0.489 . . . . 0.0 110.295 -177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 65' ' ' ASP . 94.6 mt -62.85 -50.14 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.335 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.39 -32.66 71.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 0.0 110.217 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.855 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 67' ' ' VAL . 79.3 mt -71.61 -27.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 0.0 110.827 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 74.4 mmtt -74.2 -36.42 63.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.178 0.513 . . . . 0.0 110.419 176.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -77.77 -52.58 8.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -86.76 -23.25 25.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.47 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.32 -28.3 14.68 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -156.09 152.21 27.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 56.3 t80 -119.72 119.27 33.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -103.28 116.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -103.33 125.78 50.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -83.7 95.33 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 -176.252 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 60' ' ' SER . 20.2 pt -108.77 132.66 56.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.115 0.483 . . . . 0.0 111.027 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.628 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 19.3 m-70 -95.29 109.08 21.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.49 108.83 18.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.549 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 36.3 m-85 -101.76 99.84 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.864 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -72.29 107.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 15.2 m -97.66 104.82 16.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -83.26 102.29 11.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.64 113.34 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.248 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -74.04 96.39 2.68 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.281 -174.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.405 0.622 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 27.7 ttt -86.42 90.62 8.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.061 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.554 ' HA ' ' O ' ' A' ' 8' ' ' THR . 2.8 p80 -114.31 135.5 54.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.8 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -132.48 169.23 16.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 -173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -95.76 112.88 24.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.458 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.9 t -90.63 99.55 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 73.5 m-85 -86.52 108.38 18.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.142 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.664 ' HB ' HG12 ' A' ' 26' ' ' VAL . 23.2 p -127.76 138.11 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -100.77 -10.14 21.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' A' ' 24' ' ' THR . 12.5 p -59.14 -28.27 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.259 -178.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HG3' ' CE1' ' A' ' 4' ' ' HIS . 9.3 ttm180 69.05 22.84 6.76 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.68 175.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.1 t70 -115.27 120.98 41.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.044 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.51 -47.59 81.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -175.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -66.86 -38.43 86.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.952 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 tppt? -66.61 -40.75 88.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.8 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 72.6 mt -66.16 -38.01 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.69 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.19 -41.77 89.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.733 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 17.1 m-85 -68.57 -37.4 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.52 99.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.19 -49.82 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.61 -20.96 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.624 0.249 . . . . 0.0 111.353 -177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -77.9 -39.94 41.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.34 -43.25 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -70.34 -23.07 62.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 t -72.32 -36.4 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -92.14 -19.48 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 111.6 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.24 175.195 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 32.2 t -82.37 106.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.176 0.512 . . . . 0.0 111.141 -173.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -116.18 -175.19 2.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.283 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 m -68.99 -10.64 58.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.688 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -78.6 -31.58 47.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.074 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.28 -48.67 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.811 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 46.1 t -94.87 97.49 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -107.53 118.37 36.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.139 0.495 . . . . 0.0 111.735 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 65.6 t80 -58.62 122.31 13.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.171 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.97 -56.98 2.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -164.33 167.3 19.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 111.876 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 15.7 m -123.27 131.37 53.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.022 174.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -158.12 -168.09 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.708 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -71.82 151.79 43.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.466 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -130.81 145.52 58.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.396 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.597 ' O ' HG12 ' A' ' 68' ' ' ILE . 33.3 Cg_endo -65.31 153.68 77.14 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.877 2.384 . . . . 0.0 112.4 176.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.89 -41.14 44.99 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.78 -55.03 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.958 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.6 m -69.39 -26.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.246 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.1 mm -53.54 -57.53 5.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.856 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.509 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.91 -48.81 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 67' ' ' VAL . 86.8 mt -64.24 -37.67 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.595 0.236 . . . . 0.0 111.102 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HE2' HG22 ' A' ' 68' ' ' ILE . 54.9 mtmt -70.14 -17.87 63.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -99.76 -49.4 4.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 0.0 110.541 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -81.04 -26.94 35.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.77 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.17 42.24 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.531 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -163.66 154.81 16.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.0 t80 -127.73 126.88 42.66 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.89 113.51 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 110.786 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -109.77 122.4 47.4 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -75.37 107.0 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.326 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.62 0.248 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.9 pt -93.64 124.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.356 0.598 . . . . 0.0 110.906 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -83.07 106.59 15.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.56 106.41 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 123.449 0.468 . . . . 0.0 111.272 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -104.56 98.22 8.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.56 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.51 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.1 t70 -72.09 106.81 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.777 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 14.5 m -110.63 102.57 11.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.133 0.492 . . . . 0.0 111.526 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.99 92.62 6.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.47 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 87.6 t -87.1 106.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -77.51 94.72 4.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.446 178.068 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.233 0.188 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.47 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 97.3 mmm -71.9 110.01 6.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.416 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -91.39 102.81 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.443 ' HA ' ' H ' ' A' ' 81' ' ' MET . 42.7 p90 -158.78 156.47 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.21 152.68 47.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.264 0.554 . . . . 0.0 110.623 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -107.42 115.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.848 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 60.3 m-85 -91.35 113.48 25.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.1 t -131.82 150.75 52.06 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.566 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -86.52 -20.21 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.594 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 28' ' ' ASP . 95.5 t -63.17 141.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.345 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -102.38 23.55 11.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.315 0.578 . . . . 0.0 110.308 -174.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.5 t70 -118.18 120.84 38.93 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.361 -175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.79 -35.66 81.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.96 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.03 -37.05 72.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.764 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 63.0 mmtt -65.81 -37.43 86.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.189 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.32 94.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.063 0.459 . . . . 0.0 110.006 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG12 ' SG ' ' A' ' 55' ' ' CYS . 77.2 mt -61.11 -43.72 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.453 174.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 36.4 tt0 -56.91 -51.44 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.785 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.61 -40.73 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.91 -43.02 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 0.0 110.236 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.48 -37.73 88.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.517 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.1 mt-30 -56.24 -38.14 70.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -76.71 -38.63 53.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.13 0.49 . . . . 0.0 110.161 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 43' ' ' ILE . 95.7 mt -65.05 -30.18 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -67.27 -36.22 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -69.55 -40.29 76.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 40' ' ' LEU . 32.0 pt -86.75 -10.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.985 0.421 . . . . 0.0 111.003 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.199 176.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.14 97.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.517 0.675 . . . . 0.0 110.14 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 53' ' ' GLU . 7.0 t -131.43 179.13 6.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.456 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -48.46 -25.79 1.82 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.44 1.096 . . . . 0.0 113.053 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' H ' HG23 ' A' ' 51' ' ' THR . 29.0 tt0 -78.82 -35.57 43.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -93.4 -28.67 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.923 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.8 p -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 171.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -92.73 124.99 37.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.146 -173.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -74.26 123.98 25.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.303 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 59.4 m -87.77 -63.9 1.23 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.705 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -175.78 -177.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.942 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m -119.53 125.7 49.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.522 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.07 177.48 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -66.59 144.65 56.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -94.14 126.48 48.52 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.39 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 67' ' ' VAL . 33.1 Cg_exo -61.6 129.41 27.82 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.156 1.904 . . . . 0.0 110.114 170.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 68' ' ' ILE . 33.9 t70 -55.45 -30.1 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.913 0.387 . . . . 0.0 111.506 -174.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.77 -22.11 63.75 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.336 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.5 m -103.42 -12.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 111.34 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 65' ' ' ASP . 61.8 mt -76.69 -36.58 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -167.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.35 -39.41 92.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.04 93.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.02 -34.03 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.9 -36.84 84.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -85.05 -44.7 12.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -94.82 -31.72 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.65 -6.98 63.1 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.46 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -155.4 151.48 27.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.664 0.269 . . . . 0.0 110.505 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.4 t80 -124.3 110.59 14.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.5 mm -83.81 99.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.977 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 81' ' ' MET . 91.0 t80 -85.72 110.73 19.53 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.675 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -76.91 93.37 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 48.4 ttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.63 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.545 HG23 ' HB2' ' A' ' 63' ' ' ALA . 10.3 pt -95.75 127.47 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.233 0.54 . . . . 0.0 111.36 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 11.3 m-70 -81.24 112.76 18.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.467 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.65 103.13 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 98.3 m-85 -105.84 88.41 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.52 173.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 8.2 p-10 -79.63 120.26 23.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 121.599 0.714 . . . . 0.0 109.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 6.1 m -101.79 134.23 45.29 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.079 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -104.38 84.35 2.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.204 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.572 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 48.9 t -89.6 119.26 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 12.0 mptt -82.43 95.67 7.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.364 -175.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.572 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 90.6 mmm -79.92 90.75 5.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.3 t-160 -98.44 101.12 12.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.656 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.64 149.9 46.62 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.962 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 5.8 m-20 -96.0 116.07 28.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.369 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 HG23 ' A' ' 24' ' ' THR . 47.0 t -87.96 98.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 41.9 m-85 -84.06 116.4 22.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.743 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.457 HG23 HG12 ' A' ' 22' ' ' VAL . 9.0 p -129.35 140.8 51.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.617 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.08 -35.4 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -60.45 119.87 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.57 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.825 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -94.51 36.63 1.15 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.411 0.624 . . . . 0.0 110.974 -173.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -102.46 154.31 19.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.946 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -86.32 -46.71 10.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -71.28 -39.8 71.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.774 -174.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -59.79 -40.0 86.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.66 84.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 83.6 mt -62.95 -37.99 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.685 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 40.0 tt0 -64.33 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.41 -36.98 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.09 91.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.171 0.51 . . . . 0.0 110.564 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 34' ' ' GLU . 8.3 mtmp? -73.63 -26.78 60.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.158 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.8 mm100 -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -66.01 -37.66 86.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.362 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.7 -37.78 87.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.479 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -66.07 -38.12 87.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -59.98 -45.53 92.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.925 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -79.15 -11.54 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.246 0 C-N-CA 120.426 -0.893 . . . . 0.0 113.739 174.157 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.112 0.482 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 51.2 t -104.03 108.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.349 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.6 p -106.58 -172.5 2.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.799 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -83.16 -8.53 59.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -85.64 -39.91 16.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.446 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -74.95 -46.59 34.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.407 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 15.6 t -95.44 95.73 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -97.36 135.46 39.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.61 -167.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -92.76 107.22 19.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.04 -65.6 0.98 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.725 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -166.41 -178.39 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.769 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.8 m -115.67 113.22 23.22 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -118.91 -177.0 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.39 . . . . 0.0 111.515 -173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 62' ' ' LYS . 2.8 mptp? -69.75 142.19 53.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.269 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -110.36 116.36 53.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.561 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.58 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.6 Cg_exo -74.24 157.47 45.93 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.739 2.293 . . . . 0.0 111.019 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 29.3 t70 -55.06 -24.27 24.2 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 111.721 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -49.09 -48.99 43.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.07 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.83 -21.46 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.2 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.9 mm -54.29 -59.87 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -30.91 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -53.83 9.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.739 0.304 . . . . 0.0 111.149 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.68 -33.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -71.97 -24.77 61.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.151 0.5 . . . . 0.0 111.177 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -85.26 -57.64 3.0 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -97.23 -40.29 8.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.568 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.51 -30.97 2.64 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.101 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -145.93 168.73 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.904 0.352 . . . . 0.0 111.18 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.7 t80 -132.01 119.99 21.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 110.332 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.3 mm -94.86 102.84 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.671 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 82.0 t80 -85.04 112.71 20.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.344 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.34 98.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.68 172.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.448 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 46.3 ttm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.548 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 63' ' ' ALA . 43.0 pt -110.37 149.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.713 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.655 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 9.2 m170 -89.57 121.74 32.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.86 176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.79 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 95.7 m-85 -109.59 104.31 13.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.184 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.66 107.4 4.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -106.66 120.7 42.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 111.829 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -86.84 102.23 14.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.367 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -107.88 109.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.479 . . . . 0.0 110.101 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -83.87 105.0 14.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.463 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.373 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 73.5 mtp -79.84 116.61 20.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.53 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -102.73 116.91 33.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 45.3 p90 -144.96 149.86 35.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -96.06 113.39 25.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.596 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -83.61 103.01 10.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 42.4 m-85 -83.7 107.37 16.09 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -122.71 145.57 48.27 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.768 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 71' ' ' ILE . 5.3 t70 -79.69 -42.0 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 0.0 110.557 175.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 28' ' ' ASP . 8.8 t -64.77 142.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.544 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 55.1 mtm180 -98.05 23.21 8.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.97 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 26' ' ' VAL . 4.3 m-20 -104.54 121.81 44.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.229 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -61.03 -39.62 90.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -59.13 -38.25 79.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 40.9 tptt -74.96 -39.49 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.55 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 109.966 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.474 HG22 ' HE2' ' A' ' 37' ' ' LYS . 83.0 mt -59.68 -43.45 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.393 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.34 -46.1 91.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.072 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 13.0 m-85 -61.0 -41.13 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.805 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.69 -43.76 95.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 33' ' ' ILE . 53.2 mtmt -70.56 -34.29 72.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.391 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.027 0.441 . . . . 0.0 109.966 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -68.86 -43.83 74.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.981 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.7 mt -59.35 -40.45 86.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.4 m -62.35 -36.23 81.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.691 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -71.16 -39.01 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.816 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 40' ' ' LEU . 39.6 pt -80.87 -8.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.403 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.73 173.433 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.91 96.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.171 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -125.4 -168.09 1.78 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.058 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -56.54 -25.42 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.27 0.356 . . . . 0.0 111.758 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.66 -43.97 44.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.273 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -76.37 -33.52 58.92 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.61 114.6 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.218 0.532 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -102.09 126.29 49.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -79.27 107.87 12.35 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 60.0 m -73.91 -60.03 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 178.01 -178.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.253 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 19.7 m -122.25 120.92 35.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -135.68 170.7 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.828 0.347 . . . . 0.0 111.544 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.84 128.45 35.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.987 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -98.41 152.27 37.87 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.508 -176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' HG12 ' A' ' 68' ' ' ILE . 31.4 Cg_exo -59.57 142.47 98.9 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.443 2.096 . . . . 0.0 110.782 172.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.38 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.962 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.38 -48.55 81.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.607 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 71' ' ' ILE . 21.0 m -79.04 -13.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.746 0.308 . . . . 0.0 111.131 -175.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.4 mm -62.0 -33.4 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -45.54 94.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.672 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.17 89.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.992 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 67' ' ' VAL . 46.4 mm -67.16 -36.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 0.0 110.807 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.96 -30.88 56.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.99 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -83.5 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.392 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.11 -24.34 18.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.25 -8.4 58.91 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -156.76 160.34 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 82.9 t80 -137.41 123.69 20.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.583 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.5 mm -94.13 108.03 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -111.34 116.01 30.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.02 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 55.7 mtmt -80.26 131.81 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.949 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 34.6 ttm . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.459 -176.697 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.436 ' HB ' ' HD1' ' A' ' 23' ' ' PHE . 12.1 pt -70.72 123.64 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.664 . . . . 0.0 111.875 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -94.04 113.85 25.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 23' ' ' PHE . 27.1 t -87.22 108.33 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.878 -175.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 86.8 m-85 -107.43 92.81 4.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 12.2 t70 -69.55 105.73 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -107.24 122.11 45.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.132 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 74.8 m-85 -85.58 126.85 34.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.392 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HD21 ' A' ' 40' ' ' LEU . 60.7 t -120.79 111.8 33.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -78.84 107.18 11.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.163 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.929 0.395 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtm -102.91 142.16 34.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.05 137.89 31.39 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -136.61 169.22 18.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.598 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 11.3 m-20 -95.69 111.76 23.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.4 t -87.77 105.13 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 93.3 m-85 -94.46 113.15 24.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.582 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -140.48 157.62 45.24 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.223 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.96 -15.14 25.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.227 0.537 . . . . 0.0 110.069 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.67 131.12 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -98.14 81.75 2.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -168.76 132.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.052 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.38 -33.13 32.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.74 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -67.92 -44.73 76.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -65.38 -33.84 76.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.236 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.95 83.66 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.439 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.15 -40.87 79.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.206 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 tt0 -59.13 -47.04 86.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.755 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -59.19 -43.4 92.22 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.74 -44.19 93.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.998 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.18 -34.72 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.6 mm100 -57.7 -46.47 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.719 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -65.08 -40.43 94.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.258 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 91.6 mt -64.75 -44.3 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.335 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.2 m -61.96 -34.58 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.996 0.427 . . . . 0.0 110.425 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -71.66 -45.57 61.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -72.12 -23.45 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.12 176.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.25 101.87 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.147 0.498 . . . . 0.0 109.822 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 p -121.41 -168.08 1.62 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.139 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 m -69.79 -7.04 36.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -82.56 -42.85 17.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.149 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 12.5 mm-40 -89.82 -42.95 10.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.072 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.91 109.07 21.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -125.46 147.45 49.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.416 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 78.2 t80 -87.26 112.82 22.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 72.8 m -91.22 -48.19 7.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.816 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -169.15 172.84 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.392 0.615 . . . . 0.0 110.761 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 12.9 t -144.46 139.13 28.13 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.888 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -162.59 178.25 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.298 -169.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -54.02 110.81 0.64 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 124.034 0.834 . . . . 0.0 111.082 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -79.85 129.73 69.67 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.919 -177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 67' ' ' VAL . 31.8 Cg_exo -59.54 144.38 99.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.504 2.136 . . . . 0.0 110.889 171.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.701 0.286 . . . . 0.0 111.756 -174.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.32 -34.41 76.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' PRO . 14.6 m -73.9 -18.79 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.683 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' HE3' ' A' ' 72' ' ' LYS . 45.4 mm -62.36 -38.4 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.084 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 10.3 tp10 -60.12 -44.4 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.08 93.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.939 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 67' ' ' VAL . 63.3 mt -66.75 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HE3' HG22 ' A' ' 68' ' ' ILE . 99.4 mttt -67.73 -55.41 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.14 0.495 . . . . 0.0 110.637 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 70.2 mm-40 -69.59 -50.33 45.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.154 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.96 -19.01 19.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.316 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.74 -13.32 67.04 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.303 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -161.54 142.37 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.439 . . . . 0.0 110.141 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 65.0 t80 -106.28 115.88 30.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 176.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.8 mm -90.09 109.79 21.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 43.3 t80 -96.4 106.41 18.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.31 99.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.262 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.9 ttm . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.405 176.214 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -101.35 116.7 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.084 0.469 . . . . 0.0 110.415 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 63' ' ' ALA . 14.4 pt -81.84 123.98 38.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -89.61 110.78 21.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.32 104.71 13.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.642 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -100.91 99.2 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.728 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.9 t70 -67.58 111.85 4.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.695 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 m -109.45 129.39 55.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 97.9 m-85 -100.27 111.83 24.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.457 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.594 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 54.2 t -118.93 109.57 27.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.238 0.542 . . . . 0.0 109.544 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -84.7 104.71 14.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.763 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.41 154.61 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -69.61 -67.15 0.5 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.575 -174.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -118.91 -11.7 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.494 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.87 -77.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.477 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -178.03 145.44 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.7 114.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 81.8 mmm -79.49 90.65 5.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.856 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 82' ' ' GLU . 7.7 t-160 -99.21 95.18 6.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.949 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 51.0 p90 -131.55 150.79 52.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.925 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.38 136.28 45.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.473 0.654 . . . . 0.0 110.436 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 47.0 t -97.67 114.84 35.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.238 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 71' ' ' ILE . 76.0 m-85 -84.29 111.85 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -140.05 161.26 38.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.257 0.551 . . . . 0.0 111.195 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.01 -16.13 25.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.829 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 28' ' ' ASP . 30.1 t -75.25 143.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -103.81 22.36 14.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.035 0.445 . . . . 0.0 111.356 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.614 ' H ' HG12 ' A' ' 26' ' ' VAL . 33.4 t70 -104.42 122.53 45.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.135 -176.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -36.17 83.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.246 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 30' ' ' LYS . 6.3 ttpm? -63.67 -43.9 95.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.265 176.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 57.8 mmtt -60.69 -38.14 83.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.195 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.64 87.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.291 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 62.7 mt -62.07 -49.15 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.412 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 32.5 tt0 -59.59 -48.33 82.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.466 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.95 -39.01 93.34 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 110.744 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.52 -43.28 94.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.667 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 58.9 mtpt -66.93 -41.91 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.202 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 53.3 mt-30 -60.41 -39.51 87.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 109.998 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -67.59 -43.2 81.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.789 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.1 mt -59.37 -47.3 85.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.986 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.458 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 44.9 m -63.21 -29.37 70.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 177.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -71.16 -51.35 25.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.611 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 45' ' ' GLU . 35.3 pt -77.63 -26.53 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.05 0.28 24.04 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.041 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' H ' HG13 ' A' ' 43' ' ' ILE . 38.6 mt-10 -99.68 46.04 0.98 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.459 0.647 . . . . 0.0 109.974 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 30.3 tt0 -75.87 -12.56 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.366 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.94 65.08 3.29 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.492 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.17 154.12 28.78 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 122.469 0.308 . . . . 0.0 110.391 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.2 m -104.22 120.86 42.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.385 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.99 110.11 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 110.507 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 p -108.9 -174.05 2.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.335 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 61.7 m -65.43 -19.0 65.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.652 175.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.89 -29.86 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.763 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 6.4 mm-40 -82.35 -32.36 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.439 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 31.2 p -85.2 131.32 34.45 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 62.3 ttt180 -139.43 143.41 37.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.951 -175.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -110.58 122.04 46.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.728 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 76.6 m -84.35 -67.6 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.795 0.331 . . . . 0.0 110.516 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -177.18 -179.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -118.14 130.42 56.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.374 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.52 178.88 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.502 0.191 . . . . 0.0 111.029 -176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -64.34 148.35 50.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.529 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -118.07 124.72 28.47 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.883 -173.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.509 ' O ' HG12 ' A' ' 68' ' ' ILE . 22.7 Cg_exo -66.19 155.56 69.16 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.947 2.431 . . . . 0.0 111.553 173.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.21 -37.0 61.62 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.812 0.445 . . . . 0.0 111.633 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -54.69 -55.18 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.979 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.8 m -71.51 -24.87 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.235 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 64' ' ' PRO . 50.0 mm -57.53 -50.2 77.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.205 0.526 . . . . 0.0 109.853 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -46.11 83.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.969 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 23' ' ' PHE . 57.9 mt -70.99 -31.36 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.09 -34.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -91.1 -46.27 8.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.162 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -96.39 -17.79 20.38 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -174.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.67 -29.06 10.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.137 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -157.59 158.26 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -139.58 122.63 16.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.388 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.3 mp -97.27 130.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 91.5 t80 -108.6 133.27 52.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.139 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -76.2 87.73 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.7 ttm -67.43 -65.26 0.71 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -99.78 154.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.736 177.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.9 12.08 66.78 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.39 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 p -82.74 -43.03 17.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.572 -0.314 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.09 178.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 121.141 0.496 . . . . 0.0 109.762 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.74 145.3 48.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.979 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 67' ' ' VAL . 10.9 pt -80.09 131.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 0.0 111.637 -174.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -89.7 106.23 18.32 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.62 120.4 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.166 -171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' OH ' ' HA ' ' A' ' 27' ' ' ARG . 96.3 m-85 -106.67 115.38 30.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.567 0.698 . . . . 0.0 110.844 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.4 102.45 8.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.379 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 9.3 m -108.22 117.37 33.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.431 . . . . 0.0 111.501 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -101.58 108.13 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.47 174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 40' ' ' LEU . 55.1 t -107.5 109.34 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -89.45 95.19 10.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.252 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HB1' ' OE1' ' A' ' 45' ' ' GLU . . . -83.18 153.43 24.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.348 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -52.81 -67.04 0.28 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.241 0.543 . . . . 0.0 111.286 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -124.51 10.86 8.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.668 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.69 14.84 58.88 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.023 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 t60 73.74 152.2 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.109 0.535 . . . . 0.0 110.883 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.43 103.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 109.449 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 62.2 mmm -89.8 106.22 18.32 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.591 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 8' ' ' THR . 11.9 p80 -114.27 125.29 53.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 81' ' ' MET . 25.6 p90 -143.44 171.58 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.049 -173.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 81' ' ' MET . 5.1 m-20 -103.73 115.48 30.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.366 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.577 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 92.2 t -91.83 111.96 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -96.13 118.8 33.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -151.27 174.28 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.545 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -96.84 -30.29 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.511 . . . . 0.0 110.237 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.85 122.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 12.5 ptt85 -101.8 62.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.601 0.715 . . . . 0.0 110.075 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' LYS . 14.5 t70 -123.97 131.89 53.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 t70 -50.31 -64.54 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.816 0.697 . . . . 0.0 112.227 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.84 -34.94 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.798 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 21.2 tptm -60.73 -44.41 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.035 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.33 95.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.095 0.474 . . . . 0.0 111.006 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 37' ' ' LYS . 60.5 mt -64.25 -37.55 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' OE1' ' HD2' ' A' ' 37' ' ' LYS . 1.5 tp10 -65.1 -35.17 80.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -62.01 -42.31 99.02 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 110.436 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.99 93.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 33' ' ' ILE . 85.6 mttt -64.41 -33.73 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 75.3 mt-30 -58.71 -40.95 85.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.085 0.469 . . . . 0.0 110.365 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -69.36 -44.62 71.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.004 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 10' ' ' VAL . 95.4 mt -61.16 -39.79 91.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.236 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -65.71 -32.59 74.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.181 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -74.21 -27.42 60.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.272 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.0 pt -98.02 -0.36 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 111.073 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.11 -21.62 39.04 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.541 174.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' OE1' ' HB1' ' A' ' 12' ' ' ALA . 47.4 mm-40 -82.14 28.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -172.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -81.41 73.87 8.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.7 15.09 1.4 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.856 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.53 152.23 27.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -82.29 92.16 6.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.07 104.13 15.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 110.271 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 -161.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -64.03 -21.19 66.41 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 28.7 tt0 -85.03 -17.44 37.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.316 0.579 . . . . 0.0 110.199 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -94.89 -45.53 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.624 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG12 ' A' ' 33' ' ' ILE . 41.9 t -101.73 104.55 15.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.693 176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 1.3 mpp_? -109.78 146.11 35.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.56 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -72.22 111.16 7.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 t -75.13 -63.3 1.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.039 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -179.53 177.33 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.232 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -95.61 135.71 36.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.49 158.55 44.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.001 0.429 . . . . 0.0 111.054 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -60.03 130.98 49.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.862 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -92.89 116.98 67.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.938 -173.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 67' ' ' VAL . 10.0 Cg_exo -72.33 148.23 48.7 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.884 2.389 . . . . 0.0 111.367 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -57.4 -28.09 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.411 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.76 -39.02 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.696 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 3' ' ' ILE . 12.6 m -97.44 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.531 -171.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.38 -52.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.98 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -18.43 58.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.47 -50.43 38.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.14 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.27 -24.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.434 0.635 . . . . 0.0 110.135 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.39 -25.65 62.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.266 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -92.58 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.069 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -99.03 -36.83 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.588 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.17 0.67 54.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.94 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -155.32 116.43 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -108.61 116.46 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.248 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -90.27 109.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.122 0.486 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -94.03 123.1 37.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -75.82 93.18 3.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.039 0.447 . . . . 0.0 110.401 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 41.8 ttm -53.92 -71.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.376 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -137.99 6.4 2.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.28 87.92 0.85 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.219 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.6 p -143.27 33.85 1.33 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.304 0.573 . . . . 0.0 109.512 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.422 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.211 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttp . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.826 0.346 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -103.4 131.66 50.3 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.585 HG21 HG21 ' A' ' 67' ' ' VAL . 18.4 pt -81.77 127.5 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.448 0.642 . . . . 0.0 111.83 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 27' ' ' ARG . 9.9 m170 -90.31 118.75 30.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.828 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' CE1' ' A' ' 23' ' ' PHE . 42.8 t -90.78 106.39 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 57' ' ' PHE . 88.0 m-85 -105.28 95.58 5.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.05 175.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.61 107.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 16.7 m -106.08 119.76 40.04 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.072 -174.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.653 ' HD1' ' HD2' ' A' ' 19' ' ' HIS . 24.1 m-85 -112.36 80.11 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.234 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.0 t -78.25 118.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.03 0.443 . . . . 0.0 110.04 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -92.67 92.22 7.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.337 -176.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.1 130.42 38.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.22 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.302 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -106.89 54.87 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.544 0.688 . . . . 0.0 110.006 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -148.68 -98.57 0.2 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.602 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -170.42 169.5 7.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t -76.11 103.98 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 79.7 mtp -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.171 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.653 ' HD2' ' HD1' ' A' ' 9' ' ' TYR . 39.1 m80 -90.55 102.78 15.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.228 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' HA ' ' H ' ' A' ' 81' ' ' MET . 53.2 p90 -149.65 158.05 43.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.4 128.6 47.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -97.48 102.65 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.999 0.428 . . . . 0.0 109.855 173.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 92.8 m-85 -87.51 116.33 25.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.007 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 p -136.11 160.5 38.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.574 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.8 -25.79 22.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.362 0.601 . . . . 0.0 109.565 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 28' ' ' ASP . 24.1 t -64.17 126.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.142 -176.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HB3' ' HE1' ' A' ' 4' ' ' HIS . 33.8 ptt180 -96.87 21.03 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.954 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.68 ' H ' HG12 ' A' ' 26' ' ' VAL . 13.8 t70 -106.93 126.64 52.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.771 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.82 -30.95 71.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.832 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 21.7 tptm -76.03 -49.87 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.707 0.289 . . . . 0.0 110.702 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB3' HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.64 -33.78 75.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.268 -174.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.46 94.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.359 173.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.546 HG12 ' SG ' ' A' ' 55' ' ' CYS . 74.5 mt -65.35 -39.69 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 53.6 mt-10 -56.15 -47.54 78.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.752 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.98 -34.86 79.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.729 0.299 . . . . 0.0 111.033 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.34 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 0.0 110.341 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 53.3 mtpt -71.37 -27.24 63.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 16.3 mm100 -59.13 -42.89 91.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 109.936 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -72.04 -41.45 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.93 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -68.67 -24.07 64.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.3 m -76.77 -34.68 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.155 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.55 14.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.067 0.46 . . . . 0.0 110.959 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.04 18.62 77.91 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.289 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -92.02 -10.08 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.515 -0.403 . . . . 0.0 110.229 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 65.4 -160.83 0.27 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.586 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.28 77.5 1.71 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.073 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.49 164.4 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m -65.88 96.24 0.29 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.8 t -129.78 110.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 53' ' ' GLU . 8.9 t -131.26 -162.79 1.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -58.77 -16.61 17.69 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.799 0.839 . . . . 0.0 113.029 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' HG23 ' A' ' 51' ' ' THR . 55.9 mm-40 -82.1 -30.18 31.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 8' ' ' THR . 7.1 mp0 -83.33 -51.9 7.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.158 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.546 ' SG ' HG12 ' A' ' 33' ' ' ILE . 12.0 p -101.42 99.09 9.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.296 0.569 . . . . 0.0 110.182 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -95.89 121.21 37.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.945 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 80.8 t80 -75.59 99.41 4.27 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 83.0 m -86.2 -45.88 10.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -167.68 -178.3 3.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.449 0.642 . . . . 0.0 112.032 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.4 m -129.09 145.55 51.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.649 -1.16 . . . . 0.0 107.971 170.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.75 -176.51 4.91 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.269 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 84.9 tttt -60.78 125.66 24.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.054 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.13 113.46 57.33 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.409 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 68' ' ' ILE . 16.3 Cg_exo -68.97 155.72 67.6 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.835 2.357 . . . . 0.0 111.333 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.93 -32.68 69.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.131 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.11 -52.31 61.42 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.654 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 3' ' ' ILE . 17.5 m -74.64 -25.56 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.556 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 64' ' ' PRO . 48.7 mm -61.22 -47.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.24 -50.32 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.747 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -49.88 75.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.834 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.66 -19.76 20.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 0.0 110.923 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -82.39 -27.6 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.869 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -106.18 -34.83 7.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -103.88 -26.88 12.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.948 0.404 . . . . 0.0 111.093 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.81 -11.88 70.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.663 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -148.56 158.11 43.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 52.9 t80 -140.6 114.01 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.471 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.22 110.24 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -98.78 114.22 26.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.13 101.04 2.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.625 0.726 . . . . 0.0 110.058 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.458 ' H ' ' HA ' ' A' ' 20' ' ' PHE . 32.4 ttm -66.79 -44.98 79.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.847 -176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 19' ' ' HIS . 26.3 tt0 -135.75 -57.07 0.78 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.031 -173.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.21 142.56 33.09 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.16 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.9 m -78.92 -5.37 53.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.406 -0.807 . . . . 0.0 108.864 177.117 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -78.33 110.09 13.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.8 pt -78.26 106.47 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.487 0.661 . . . . 0.0 110.256 173.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 7.0 m-70 -75.56 102.27 5.21 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.511 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.03 99.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.649 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 74.9 m-85 -96.28 101.17 12.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 0.0 110.492 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.4 t70 -74.95 107.41 7.01 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -105.46 128.87 53.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.04 0.448 . . . . 0.0 111.88 -169.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -102.55 90.16 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.233 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 60.6 t -93.19 104.23 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.131 0.491 . . . . 0.0 110.409 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.67 104.17 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.454 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.57 176.43 8.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.134 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -65.17 -59.94 3.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.939 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -143.23 -6.09 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -86.18 35.72 3.26 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.237 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 63.2 t60 74.13 150.14 0.11 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.839 0.456 . . . . 0.0 110.825 175.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.18 107.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 91.6 mmm -67.12 103.01 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.907 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 81' ' ' MET . 10.5 t-160 -103.8 103.56 13.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.734 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' TYR . 49.9 p90 -142.05 161.99 36.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.473 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -113.44 141.19 47.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.331 0.586 . . . . 0.0 110.685 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 78' ' ' ILE . 34.4 t -108.28 117.05 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.617 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 89.9 m-85 -81.85 111.82 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.183 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.411 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -133.23 156.31 47.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.427 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -99.13 -4.11 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.408 0.623 . . . . 0.0 109.612 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 28' ' ' ASP . 22.3 t -72.46 144.62 12.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.569 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 19.5 ptt-85 -98.97 16.8 21.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.303 0.573 . . . . 0.0 110.645 -176.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.569 ' H ' HG12 ' A' ' 26' ' ' VAL . 5.8 m-20 -119.58 123.47 44.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.594 -172.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.9 m-20 -66.45 -44.37 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.201 0.524 . . . . 0.0 109.804 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 27.4 tptp -64.93 -34.17 77.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.466 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 56.2 tptt -74.59 -38.36 62.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.905 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.59 90.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 29' ' ' ASP . 91.0 mt -53.36 -47.1 58.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.138 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -41.17 87.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HA ' HE21 ' A' ' 38' ' ' GLN . 60.0 m-85 -67.52 -41.46 84.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.627 0.251 . . . . 0.0 110.904 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.72 -42.35 97.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.548 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 52.4 mtpt -68.7 -29.78 68.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.421 HE21 ' HA ' ' A' ' 35' ' ' PHE . 41.6 mt-30 -59.9 -41.26 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.033 0.444 . . . . 0.0 110.263 174.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -68.5 -47.71 66.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.835 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 45' ' ' GLU . 96.3 mt -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.69 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -60.11 -28.89 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 0.0 111.33 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 m -77.91 -40.34 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.8 pt -78.45 -20.95 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.96 -22.22 2.12 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.163 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 40' ' ' LEU . 23.3 mm-40 -86.85 64.87 8.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.531 0.681 . . . . 0.0 110.914 -177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.35 16.43 3.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.201 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.44 77.45 0.19 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.86 151.81 50.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.901 0.381 . . . . 0.0 110.525 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -89.05 98.53 11.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.029 0.442 . . . . 0.0 111.051 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.31 99.5 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.645 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.6 p -105.93 -168.6 1.46 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.729 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 11.6 t -69.28 -2.46 10.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.221 0.534 . . . . 0.0 110.088 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -89.84 -35.04 15.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.157 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -80.94 -29.72 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.214 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 26.3 p -92.07 102.75 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.194 0.521 . . . . 0.0 110.438 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -97.84 108.31 20.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.609 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -69.72 103.8 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.8 m -80.38 -53.75 6.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.747 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -170.92 179.58 3.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.424 0.631 . . . . 0.0 111.687 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 49.9 m -140.07 112.35 7.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.563 171.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -124.29 -167.76 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.886 -173.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -61.44 117.23 5.42 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.255 0.55 . . . . 0.0 110.926 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -78.23 126.37 83.51 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.534 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.65 141.23 45.12 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.306 2.004 . . . . 0.0 111.161 172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.04 -21.31 61.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.653 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.35 -53.15 61.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.01 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -75.58 -22.09 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.425 -174.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.77 -45.91 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.991 0.424 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.34 -42.21 88.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.475 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.55 79.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.27 -27.61 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -71.56 -31.17 66.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.45 -46.78 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.722 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -95.59 -28.06 15.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.67 74.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.328 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -160.47 163.26 33.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 72.9 t80 -146.72 106.62 3.98 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.299 175.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 22' ' ' VAL . 2.2 mp -85.79 117.87 31.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 66.8 t80 -93.97 120.69 34.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.787 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 84' ' ' CYS . 93.6 mttt -72.58 96.91 2.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 48.7 ttm -79.48 -81.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -127.53 152.05 48.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.718 0.294 . . . . 0.0 110.737 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.75 5.5 51.71 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.986 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 80' ' ' LYS . 36.3 m -109.36 112.47 24.62 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.943 179.438 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HE2' HD13 ' A' ' 68' ' ' ILE . 66.0 ttp . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.709 0.29 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -109.09 115.59 30.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.412 HG23 ' HB2' ' A' ' 63' ' ' ALA . 27.0 pt -79.6 128.12 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.209 0.528 . . . . 0.0 110.994 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -92.1 114.75 27.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.16 112.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 69.4 m-85 -110.67 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.368 177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -92.4 102.46 14.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 m -98.27 123.51 42.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.054 0.454 . . . . 0.0 111.36 -173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -91.31 86.05 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.702 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.25 102.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.988 0.423 . . . . 0.0 109.913 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 5.8 mptt -78.48 93.3 4.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.4 150.4 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.989 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 10.5 ptmm? -65.06 -7.65 12.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.678 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.13 -33.61 76.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.233 0.54 . . . . 0.0 110.213 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.28 -41.36 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.374 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -82.86 148.78 27.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG13 ' HG3' ' A' ' 11' ' ' LYS . 21.3 t -83.22 110.6 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.575 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttp -80.2 119.67 23.28 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.219 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 36.4 m80 -109.65 126.88 54.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.14 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HA ' ' H ' ' A' ' 81' ' ' MET . 33.9 p90 -146.73 146.84 30.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.572 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 18.5 m-20 -84.55 115.77 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.558 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 43.2 t -91.75 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 65.0 m-85 -84.62 114.97 22.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.072 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 22' ' ' VAL . 18.8 p -120.25 151.36 39.27 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.978 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 1' ' ' MET . 2.5 t70 -90.61 -42.57 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.315 175.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.81 138.74 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.751 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -88.29 36.44 0.78 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.075 0.464 . . . . 0.0 110.916 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -112.86 133.53 54.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.329 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.8 -29.46 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 34.1 ttpt -78.05 -43.97 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.811 0.338 . . . . 0.0 110.204 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HZ3' ' HZ ' ' A' ' 35' ' ' PHE . 56.4 tttm -61.74 -31.74 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.963 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . . . -66.77 -34.33 77.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.546 176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 51' ' ' THR . 67.6 mt -63.29 -45.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.346 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -55.75 -41.35 73.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 176.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 22.6 m-85 -58.85 -46.77 86.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.761 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -64.59 -42.08 95.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.983 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 8.9 mtpm? -65.63 -36.13 82.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.242 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 48.9 mt-30 -62.38 -42.07 99.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.65 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -68.08 -38.93 82.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 68.3 mt -60.3 -40.42 90.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.636 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 m -63.36 -34.58 78.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.613 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 m -66.68 -47.29 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.2 pt -79.7 -24.95 12.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.698 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.84 38.85 3.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.221 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' OE1' ' HG2' ' A' ' 13' ' ' LYS . 13.1 tp10 -128.5 30.32 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.591 0.71 . . . . 0.0 109.633 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.85 83.86 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.508 0.671 . . . . 0.0 109.698 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.34 -46.11 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.92 119.69 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.994 -0.603 . . . . 0.0 110.579 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.2 m -75.24 94.29 2.96 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.068 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.29 120.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.03 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.496 ' HA ' HD13 ' A' ' 33' ' ' ILE . 11.9 t -145.02 -168.8 3.03 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.778 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -51.3 -41.19 60.32 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.929 0.891 . . . . 0.0 112.685 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 51' ' ' THR . 36.8 tt0 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 111.048 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.06 -48.26 9.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.011 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 6.9 t -93.85 92.63 7.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.15 125.54 35.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.907 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -72.19 126.02 28.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.461 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.6 m -100.01 -73.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.89 176.76 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.653 0.74 . . . . 0.0 111.93 -173.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -123.39 107.23 11.39 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' OE2' ' HG2' ' A' ' 62' ' ' LYS . 10.7 tp10 -117.95 163.36 16.69 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.902 0.382 . . . . 0.0 111.11 -164.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' ' OE2' ' A' ' 61' ' ' GLU . 17.5 pttm -59.38 132.23 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.74 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -88.54 120.06 70.23 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.572 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.75 146.86 96.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.026 2.484 . . . . 0.0 111.549 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.3 -38.84 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.995 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.75 -48.9 77.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 m -70.86 -17.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.488 HD13 ' HE2' ' A' ' 1' ' ' MET . 42.0 mm -53.44 -60.35 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.463 0.649 . . . . 0.0 110.603 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 38.0 mt-10 -71.15 -35.85 71.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.812 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.57 93.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.251 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -37.09 78.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.804 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -61.94 -34.71 76.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.834 0.349 . . . . 0.0 111.783 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 30.6 mm-40 -73.92 -40.5 63.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.062 -175.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -109.99 -24.54 10.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.21 -9.14 56.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -158.94 168.84 25.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.469 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.615 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 91.1 t80 -136.57 124.05 22.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.564 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.6 mm -96.22 107.41 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.981 0.42 . . . . 0.0 110.635 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.6 t80 -105.82 117.92 35.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.506 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -76.12 92.2 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 111.001 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.422 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 26.8 ttm -63.87 -50.78 67.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.21 175.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 19' ' ' HIS . 52.8 tt0 -151.21 78.38 1.28 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.747 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.65 36.56 0.47 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.428 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.8 t -110.28 -2.04 16.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.546 0.689 . . . . 0.0 109.364 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' A' ' 85' ' ' ASN . 12.7 m120 . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.567 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 68' ' ' ILE . 27.9 ttt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.47 123.85 36.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 63' ' ' ALA . 23.2 pt -78.59 122.24 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.473 0.654 . . . . 0.0 111.224 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 27' ' ' ARG . 12.6 m170 -89.74 128.36 36.1 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.773 172.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 23' ' ' PHE . 52.3 t -94.29 103.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.335 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -97.57 102.22 13.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.227 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' CG ' ' HE2' ' A' ' 19' ' ' HIS . 10.9 t70 -69.82 112.76 6.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.073 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -112.27 116.48 30.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.073 0.463 . . . . 0.0 111.838 -173.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -96.37 109.12 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.954 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -107.92 109.54 28.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 110.108 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -87.36 80.88 8.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.885 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB3' ' H ' ' A' ' 16' ' ' HIS . . . -84.2 108.9 17.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.842 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.63 -31.46 46.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 0.0 110.299 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.89 -103.64 0.18 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.421 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 p-80 -164.01 151.35 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.894 -0.18 . . . . 0.0 110.768 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.4 104.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.707 ' SD ' ' HG3' ' A' ' 45' ' ' GLU . 69.6 mtp -85.78 131.75 34.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 -175.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.703 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 26.8 t-80 -125.15 99.54 6.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.391 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.96 147.46 52.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -96.19 120.13 35.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 110.994 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -88.05 110.09 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.014 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 23.0 m-85 -94.29 118.75 32.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.19 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.49 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.0 t -151.49 157.69 42.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.29 174.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -83.12 -19.22 37.11 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 28' ' ' ASP . 64.1 t -57.87 126.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.422 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 67.6 mtm-85 -98.06 23.38 8.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.986 -172.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.3 t70 -112.43 139.71 47.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.388 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' ILE . 7.9 p-10 -76.21 -47.11 25.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 64.6 pttt -73.95 -26.12 60.32 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.614 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 4.6 mmtm -65.77 -43.78 87.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.219 173.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.072 0.463 . . . . 0.0 110.133 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 30' ' ' LYS . 83.1 mt -58.27 -48.45 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.441 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 48.9 mt-10 -56.54 -45.45 81.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.642 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' A' ' 76' ' ' TYR . 22.0 m-85 -56.17 -44.43 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.153 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -67.94 -42.67 80.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.971 0.415 . . . . 0.0 110.875 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -62.02 -36.81 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.376 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 19.0 mm-40 -59.25 -35.95 74.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -82.64 -42.83 17.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.847 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 95.6 mt -58.4 -45.57 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.724 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -69.14 -25.23 64.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.695 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 p -88.71 -28.71 20.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.416 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 45' ' ' GLU . 31.1 pt -80.76 -32.15 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.941 177.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.13 3.5 27.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.749 174.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.707 ' HG3' ' SD ' ' A' ' 18' ' ' MET . 22.1 mm-40 -78.94 58.39 2.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.624 0.726 . . . . 0.0 109.889 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.13 159.8 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.819 -176.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.43 -16.46 9.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.18 142.39 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.976 0.417 . . . . 0.0 111.199 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -102.79 125.78 49.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.371 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 33' ' ' ILE . 48.4 t -108.77 107.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 0.0 111.691 -173.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 p -111.42 -164.64 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -76.63 -3.99 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.469 . . . . 0.0 110.353 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -85.36 -29.76 24.2 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.09 -49.89 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.228 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 t -101.75 109.94 21.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -118.76 132.24 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.605 -173.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -72.8 113.72 10.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 172.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.0 m -105.48 -62.79 1.31 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.4 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -143.35 179.98 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.296 0.57 . . . . 0.0 111.55 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 m -139.38 160.13 40.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.4 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.43 176.9 11.55 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.477 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -57.5 141.15 48.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.34 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -113.56 108.41 51.94 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.499 -176.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 68' ' ' ILE . 28.9 Cg_endo -64.67 150.52 88.06 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.388 2.059 . . . . 0.0 111.362 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.08 -25.94 61.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.576 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.64 -44.51 96.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.73 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.8 m -82.28 -23.63 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.36 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 64' ' ' PRO . 34.9 mm -58.71 -52.86 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.257 176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -61.24 -31.95 71.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.657 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -46.67 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.107 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 24' ' ' THR . 62.0 mt -71.02 -38.04 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.366 0.603 . . . . 0.0 110.06 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -60.35 -33.53 72.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.922 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -88.06 -53.57 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -97.51 -17.3 19.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -171.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.24 -20.74 46.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.595 -176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' PHE . 42.1 p90 -154.26 147.88 25.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.53 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 69.5 t80 -115.5 113.89 24.27 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -85.91 98.45 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.242 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -84.33 98.75 10.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -70.4 100.29 1.73 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.83 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtm -92.42 -61.97 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 111.977 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 19' ' ' HIS . 4.3 tp10 -112.23 134.35 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.895 -173.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.8 8.9 50.79 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.897 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.4 t -179.86 127.66 0.08 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.593 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.2 t30 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.404 -0.807 . . . . 0.0 109.496 173.599 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -101.81 159.47 15.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 63' ' ' ALA . 5.3 pt -138.71 136.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.762 175.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 24' ' ' THR . 15.7 m170 -83.71 117.69 23.39 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -93.27 111.09 24.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.062 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 85.5 m-85 -108.81 99.72 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.95 88.87 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 28.1 m -83.87 118.25 23.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -170.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.87 107.66 19.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.248 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 89.6 t -107.5 115.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.166 0.508 . . . . 0.0 110.14 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -84.66 102.2 12.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.331 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.7 158.8 33.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.152 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -68.91 -29.1 67.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.955 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.39 -27.49 64.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.28 61.48 0.53 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.841 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -148.56 141.35 24.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.7 t -93.68 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.347 0.594 . . . . 0.0 110.215 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.445 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 78.0 mtp -80.64 90.37 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.861 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.759 ' HA ' ' O ' ' A' ' 8' ' ' THR . 12.4 p80 -105.63 130.06 53.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 110.133 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.4 166.92 23.43 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.079 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 13.0 m-20 -95.96 107.96 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 110.492 -175.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.6 t -84.91 98.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 68.9 m-85 -84.16 107.44 16.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.407 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 9.5 t -151.49 146.79 26.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 173.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -113.66 8.7 17.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.424 0.63 . . . . 0.0 109.962 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.45 111.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -76.04 76.57 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.679 -175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.615 ' OD2' ' HG2' ' A' ' 31' ' ' LYS . 51.9 t0 -149.56 114.1 5.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.96 -35.32 68.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.703 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 13.7 pttp -87.54 -13.69 42.29 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.102 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.615 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 25.6 mmtm -67.01 -36.78 82.91 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.62 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.004 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.16 -48.27 55.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.717 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 45.3 mt-10 -62.72 -40.55 97.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.53 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.94 -38.42 86.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.308 . . . . 0.0 110.778 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HE2' ' HB ' ' A' ' 50' ' ' VAL . 70.0 mmtt -57.45 -37.31 72.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.73 -49.99 75.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.973 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.19 -39.11 89.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 89.7 mt -62.23 -41.15 98.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 48.8 m -64.1 -31.04 72.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 0.0 110.642 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -69.42 -45.59 68.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.765 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 pt -78.52 -23.44 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.575 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.51 -22.12 5.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.726 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 25.0 mm-40 -84.01 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 111.074 -177.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 9.1 pt-20 -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.94 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.01 27.87 17.14 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.622 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -77.11 141.12 40.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 11.0 m -67.33 105.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.258 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.491 ' HB ' ' HE2' ' A' ' 37' ' ' LYS . 40.1 t -130.03 96.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.478 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.2 p -109.86 -167.0 1.14 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -68.42 -9.44 48.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -88.62 -32.5 18.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 49' ' ' THR . 4.9 mp0 -80.74 -46.82 14.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.3 t -101.19 90.31 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -106.89 154.27 21.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.24 0.543 . . . . 0.0 111.625 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -79.01 105.82 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.405 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.73 -59.23 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.825 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.33 179.59 0.78 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 23.8 m -118.97 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.619 172.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -134.4 -175.53 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -77.99 135.05 37.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.057 0.456 . . . . 0.0 110.866 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -86.06 118.44 70.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.411 -173.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.72 149.38 78.79 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.422 2.082 . . . . 0.0 110.599 170.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' HG12 ' A' ' 68' ' ' ILE . 3.6 m-20 -64.23 -11.46 31.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.53 -37.08 82.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.7 m -95.86 -10.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 65' ' ' ASP . 44.9 mm -59.97 -56.28 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.614 0.245 . . . . 0.0 110.704 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.22 -43.53 67.32 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.59 -50.81 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.902 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' O ' ' HA2' ' A' ' 75' ' ' GLY . 63.1 mt -71.24 -32.87 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.097 0.475 . . . . 0.0 111.04 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 35.4 ttpt -72.47 -40.68 66.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.157 0.503 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -86.02 -60.51 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.627 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -89.36 -28.7 19.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.769 0.319 . . . . 0.0 110.903 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.46 -6.43 57.6 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.257 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -155.82 153.55 29.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.823 0.344 . . . . 0.0 111.02 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 84.0 t80 -138.75 112.23 8.19 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.63 112.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 110.238 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 81.3 t80 -96.12 117.32 30.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 173.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -73.16 82.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.88 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.1 ttm -59.93 -75.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.197 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.52 -6.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.03 81.37 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.028 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.8 m -107.32 -98.45 0.36 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.264 -0.874 . . . . 0.0 109.002 177.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -113.45 111.67 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.362 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 63' ' ' ALA . 4.4 pt -83.26 128.48 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.201 0.524 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -90.23 107.41 19.12 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.4 t -87.04 112.32 22.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.149 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 52.3 m-85 -93.17 113.0 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.422 0.629 . . . . 0.0 110.841 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.692 ' HB2' ' HB2' ' A' ' 58' ' ' CYS . 22.6 t70 -74.38 96.09 2.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.5 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 m -107.23 123.69 48.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.134 0.493 . . . . 0.0 112.15 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -105.7 115.51 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.473 171.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.51 111.48 35.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.989 0.423 . . . . 0.0 110.076 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -82.67 80.89 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.302 -176.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 127.06 33.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.834 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.1 -31.69 72.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.562 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -114.41 -21.62 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -96.1 8.22 67.37 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.281 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 18.0 t60 71.63 156.0 0.16 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.92 0.36 . . . . 0.0 110.038 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t -65.98 100.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 71.1 mtm -84.53 128.26 34.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.337 -173.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -113.32 127.68 56.22 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.669 ' HA ' ' HG3' ' A' ' 81' ' ' MET . 38.8 p90 -153.5 160.91 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.672 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 40.6 m-20 -95.86 117.92 31.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.226 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.575 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.9 t -94.54 102.8 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 72.7 m-85 -92.8 114.99 27.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.348 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -142.39 154.57 44.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.958 0.408 . . . . 0.0 110.649 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.58 -13.2 40.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.87 109.21 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.458 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -86.06 85.58 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 13.9 t70 -136.54 128.34 29.13 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.79 -38.92 76.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.922 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -83.99 -40.21 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.612 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.596 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 68.5 mmtt -65.67 -35.75 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -49.18 77.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 0.0 110.36 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.745 177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 8.8 tp10 -55.56 -50.03 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.731 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -41.17 97.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.88 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -77.0 -23.56 52.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.689 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 22.5 mt-30 -62.5 -40.94 98.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -66.74 -44.07 82.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.074 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.75 -41.01 81.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.173 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 18.9 m -70.9 -24.62 62.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.99 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 m -81.17 -29.02 34.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.099 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.5 pt -94.17 0.1 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 24.05 66.27 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.152 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.19 -75.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 41' ' ' SER . 26.6 mt-10 60.35 15.33 5.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 168.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.69 -42.18 0.89 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.63 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.17 116.18 8.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.065 0.459 . . . . 0.0 111.409 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.6 m -74.76 112.13 10.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.991 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.98 111.0 29.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.0 p -105.21 -169.06 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -72.31 -11.31 60.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.331 0.586 . . . . 0.0 110.224 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -82.86 -34.05 26.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HG3' ' HE3' ' A' ' 11' ' ' LYS . 7.6 mp0 -77.84 -46.26 22.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.9 t -93.99 91.58 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 29.8 mtp180 -88.33 168.06 13.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.805 -175.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -100.65 112.18 24.53 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 24.5 t -79.95 -66.02 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.199 -176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -174.12 -178.76 1.53 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.694 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 m -130.11 130.84 45.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.376 175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -144.87 170.8 15.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.886 0.374 . . . . 0.0 111.111 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -70.66 124.32 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.791 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.637 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.77 135.66 55.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.447 -172.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' ILE . 60.1 Cg_endo -75.33 149.38 35.32 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.553 2.169 . . . . 0.0 111.151 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 24.3 t70 -55.2 -27.29 44.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.868 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.39 -40.88 62.63 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.79 -11.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.506 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 46.5 mm -61.79 -49.1 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.089 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.7 -28.39 68.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.728 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.49 -54.65 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.213 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.57 -33.32 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.197 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -74.51 -12.99 60.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.052 0.453 . . . . 0.0 110.647 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -97.58 -65.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -88.49 -46.32 9.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.438 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.18 -6.88 8.7 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.111 -1.042 . . . . 0.0 113.431 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -151.56 126.18 9.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.307 0.554 . . . . 0.0 111.225 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 65.2 t80 -108.09 115.18 29.65 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.74 111.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.124 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.486 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 92.8 t80 -103.04 107.38 18.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -72.38 100.5 2.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.669 ' HG3' ' HA ' ' A' ' 20' ' ' PHE . 67.0 mtp -69.24 -66.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.447 0.642 . . . . 0.0 109.652 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -161.29 118.95 2.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.42 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' A' ' 18' ' ' MET . . . -155.34 -46.47 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.732 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.16 82.35 8.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.005 0.431 . . . . 0.0 110.277 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 177.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' CE ' ' HB2' ' A' ' 25' ' ' ASP . 3.0 ppp? . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -108.26 121.1 44.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.613 HG23 ' HB2' ' A' ' 63' ' ' ALA . 7.4 pt -82.54 104.08 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.241 0.543 . . . . 0.0 111.435 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -72.61 107.25 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 20.0 t -85.04 120.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 123.365 0.416 . . . . 0.0 110.271 -175.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.562 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 96.9 m-85 -113.7 106.52 14.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.625 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 56' ' ' ARG . 4.9 m-20 -71.89 90.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 21.6 m -94.34 115.68 27.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -100.8 98.36 8.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.803 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG21 HD11 ' A' ' 40' ' ' LEU . 41.5 t -99.57 113.86 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.0 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpm? -85.6 124.78 32.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.557 -177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 173.16 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -69.64 -47.41 63.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.457 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -143.35 7.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.57 -110.93 2.32 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.399 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -135.01 -172.47 3.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.624 0.249 . . . . 0.0 110.6 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.46 113.12 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.143 0.497 . . . . 0.0 110.512 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.05 100.73 11.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.961 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.1 p80 -111.49 116.3 30.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.064 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -132.31 156.8 45.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.452 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 6.4 m-20 -84.82 112.79 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 59.1 t -96.31 113.83 31.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.965 175.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 79.2 m-85 -104.52 119.72 39.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -137.07 148.0 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 27.6 t70 -92.04 -30.9 15.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.17 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 31' ' ' LYS . 47.3 t -61.04 124.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.155 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.4 80.81 5.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.881 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 15.8 t70 -160.89 134.02 6.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.26 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -76.87 -38.79 53.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.981 0.419 . . . . 0.0 110.414 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -64.25 -43.94 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.4 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HG3' HG11 ' A' ' 26' ' ' VAL . 36.8 mmtm -57.05 -42.61 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.4 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.15 -43.13 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.61 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 3.5 tp10 -53.82 -52.99 58.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.425 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.8 -39.72 83.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.008 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.64 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.85 -33.14 74.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.895 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 25.5 mt-30 -60.08 -38.27 82.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 0.0 110.298 174.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -71.22 -45.84 62.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.252 0.549 . . . . 0.0 109.998 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 47' ' ' GLY . 49.5 mt -63.65 -32.0 73.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.002 -178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -77.53 -29.6 52.44 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.044 -0.41 . . . . 0.0 110.544 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.8 m -66.59 -38.37 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.81 -3.32 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.874 0.369 . . . . 0.0 111.096 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.4 38.7 10.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.471 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 2.0 tm-20 -116.2 -36.94 3.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.964 0.382 . . . . 0.0 110.077 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 46.0 mt-10 83.13 -23.23 0.21 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.15 0.98 . . . . 0.0 110.335 -172.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' CA ' HD13 ' A' ' 40' ' ' LEU . . . 95.89 12.41 52.85 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.493 170.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.85 -151.81 0.3 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.837 0.351 . . . . 0.0 111.3 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.07 106.85 18.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.343 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' GLY . 78.5 t -122.7 109.46 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.589 178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -164.09 0.91 Allowed 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 m -70.21 -5.64 28.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.188 0.518 . . . . 0.0 110.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 -49.35 8.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.252 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -71.19 -36.62 72.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 14.3 t -92.27 97.61 10.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 96.4 mtt180 -87.63 113.69 23.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.699 -174.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -78.21 116.56 18.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.525 ' SG ' ' HB ' ' A' ' 5' ' ' VAL . 6.6 p -99.35 -57.92 2.05 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -162.61 179.27 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.205 0.526 . . . . 0.0 111.752 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 m -134.0 120.88 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.003 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.04 168.09 17.26 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.417 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.04 114.14 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.657 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -70.42 144.72 92.14 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.751 -171.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 67' ' ' VAL . 24.2 Cg_exo -63.92 143.65 86.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.691 2.261 . . . . 0.0 110.715 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.96 -25.75 67.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.974 0.416 . . . . 0.0 111.479 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.75 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 64' ' ' PRO . 22.1 m -81.41 -12.78 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.25 -175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 64' ' ' PRO . 45.5 mm -60.88 -48.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -23.67 61.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.0 -51.64 15.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.094 0.474 . . . . 0.0 110.367 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.19 -26.67 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.152 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 34.6 ttpt -57.67 -39.86 78.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.406 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.94 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -91.04 -42.36 10.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.802 -173.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -85.11 -33.84 22.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.958 0.409 . . . . 0.0 111.322 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.59 -6.2 70.62 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -160.29 170.05 21.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.995 -0.602 . . . . 0.0 109.503 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.8 t80 -146.69 125.24 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.467 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.3 111.72 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 69.0 t80 -91.16 119.72 31.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.9 87.52 0.72 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 45.1 ttm -60.94 -64.86 0.81 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.44 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -171.63 163.74 6.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.709 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.56 19.67 77.96 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.5 m -124.11 176.39 6.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.95 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HE2' HG12 ' A' ' 68' ' ' ILE . 54.8 ttp . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -91.22 133.46 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 63' ' ' ALA . 3.3 pt -109.21 126.82 66.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.408 0.623 . . . . 0.0 110.973 176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -89.48 106.57 18.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.635 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.71 103.24 7.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.368 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -94.89 105.12 17.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.016 0.436 . . . . 0.0 110.886 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.807 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 48.7 t0 -71.3 103.7 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.216 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 11.9 m -103.51 102.32 12.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 48.1 m-85 -83.86 106.9 15.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 95.1 t -107.49 109.25 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.405 0.622 . . . . 0.0 109.754 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -78.6 101.06 7.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.041 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.18 144.3 55.62 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -63.43 -19.58 64.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 110.292 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -24.89 66.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.238 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.56 44.37 3.2 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -136.8 139.05 41.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.08 107.83 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.381 0.61 . . . . 0.0 110.806 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.503 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 65.9 mmm -84.18 101.45 11.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.027 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -101.16 102.51 13.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.62 0.724 . . . . 0.0 110.002 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 46.0 p90 -117.87 140.9 49.05 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -96.24 118.82 33.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 -175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.9 t -85.4 101.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.739 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 95.4 m-85 -84.07 115.64 22.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.786 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.405 HG23 HG12 ' A' ' 22' ' ' VAL . 12.5 p -132.07 145.51 51.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.9 -23.63 22.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.559 0.695 . . . . 0.0 109.48 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.3 143.44 14.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.869 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -99.69 36.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.056 0.455 . . . . 0.0 111.21 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.96 120.3 41.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.454 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.94 -44.62 60.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.79 -173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -75.32 -27.13 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.573 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -57.93 -46.92 84.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.419 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.51 83.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.621 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 55' ' ' CYS . 67.8 mt -63.85 -45.96 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.594 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.88 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.87 -40.59 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 110.437 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.49 90.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.601 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.65 -31.23 71.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.12 -36.92 82.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.24 0.543 . . . . 0.0 109.546 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -67.62 -40.84 84.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.868 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.97 -28.7 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.543 ' HA ' ' CG ' ' A' ' 46' ' ' GLU . 12.2 t -74.87 -36.94 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -80.44 -22.6 40.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.1 pt -87.32 -7.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.691 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.21 41.43 11.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.939 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.42 -78.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' CG ' ' HA ' ' A' ' 41' ' ' SER . 41.1 mt-10 60.0 28.45 17.98 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 172.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.0 -39.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.579 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.47 122.13 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.078 0.466 . . . . 0.0 111.66 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.3 m -77.41 110.63 12.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.54 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -114.37 120.95 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.686 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.1 p -132.67 -161.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.02 176.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -69.58 -11.27 60.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -44.2 16.73 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 36.1 mp0 -73.95 -46.99 40.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.923 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.7 t -100.72 109.53 21.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -117.31 167.73 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -100.64 120.6 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.084 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.807 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 63.1 m -79.91 -69.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.995 0.426 . . . . 0.0 110.181 178.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -174.01 -179.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.7 m -109.24 129.07 55.51 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.458 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.95 173.75 11.23 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.668 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -79.72 126.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.288 0.566 . . . . 0.0 110.113 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -79.23 138.06 56.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.826 -170.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 Cg_exo -71.77 149.01 53.6 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.877 2.385 . . . . 0.0 110.664 168.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 68' ' ' ILE . 7.6 p-10 -57.12 -31.18 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.25 -39.33 94.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.053 0.454 . . . . 0.0 111.09 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.3 m -82.43 -25.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.617 -175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' ASP . 95.8 mt -66.02 -52.0 53.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.985 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.48 -22.12 61.11 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.022 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.45 53.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 110.58 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 67' ' ' VAL . 82.6 mt -69.46 -38.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.37 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.62 -25.22 68.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.13 0.491 . . . . 0.0 110.732 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -84.77 -53.07 5.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.65 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -98.13 -20.44 17.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.32 -25.75 27.03 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.829 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -149.59 152.12 34.94 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 69.8 t80 -123.76 112.76 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.204 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.27 98.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.058 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 73.9 t80 -97.33 103.26 15.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.474 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 3.8 mppt? -67.44 102.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.409 ' SD ' ' HB2' ' A' ' 82' ' ' GLU . 13.5 tmm? -94.31 -52.58 4.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -170.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HB2' ' SD ' ' A' ' 81' ' ' MET . 6.7 tp10 -152.29 147.72 26.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.44 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.23 23.21 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.186 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 80' ' ' LYS . 62.3 m -81.76 178.68 8.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.33 . . . . 0.0 110.798 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.148 179.354 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 2' ' ' GLN . 20.6 mt-30 -85.5 147.6 26.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.384 . . . . 0.0 111.107 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.683 ' O ' ' HA ' ' A' ' 60' ' ' SER . 12.4 pt -121.7 154.46 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.345 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -95.65 108.31 20.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 23' ' ' PHE . 82.6 t -89.61 112.44 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.147 0.498 . . . . 0.0 110.975 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -103.28 101.13 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.013 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 56' ' ' ARG . 9.8 t0 -67.69 104.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.142 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -102.76 125.27 49.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.003 0.43 . . . . 0.0 111.813 -172.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -103.74 85.24 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 75.1 t -92.02 89.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.686 0.755 . . . . 0.0 109.41 176.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 37.1 ttpt -83.04 112.32 19.68 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.103 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.85 57.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.28 -36.46 77.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.506 -170.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -134.16 41.58 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.661 0.743 . . . . 0.0 109.868 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.47 -106.01 0.71 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.139 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -147.23 163.79 35.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 48.7 t -76.55 110.19 11.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.618 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 74.3 mmm -71.68 88.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -97.24 114.65 26.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.001 0.429 . . . . 0.0 110.026 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -148.11 152.15 36.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.525 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 39.0 m-20 -96.08 119.86 35.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.988 0.423 . . . . 0.0 110.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 24' ' ' THR . 61.6 t -91.02 108.23 19.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.938 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 20.6 m-85 -90.52 117.03 28.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.729 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 22' ' ' VAL . 22.6 p -131.43 163.04 28.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.9 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -107.19 -4.46 18.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.299 0.571 . . . . 0.0 109.856 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 28' ' ' ASP . 43.2 t -78.59 146.55 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.102 -175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -98.84 22.09 10.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.336 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 26' ' ' VAL . 15.5 t70 -121.47 122.91 40.8 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' HG13 ' A' ' 33' ' ' ILE . 3.4 m-20 -61.48 -47.48 85.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.578 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -66.95 -35.95 81.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.672 -175.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.43 -48.33 79.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 175.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.12 95.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 29' ' ' ASP . 78.6 mt -58.17 -49.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.277 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 73.4 mm-40 -62.51 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.393 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.44 -45.29 93.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.633 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.38 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.054 0.454 . . . . 0.0 110.172 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 34' ' ' GLU . 10.4 mtpm? -62.94 -43.56 98.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.68 -34.01 76.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.756 0.313 . . . . 0.0 110.794 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 43' ' ' ILE . 52.4 t90 -65.29 -42.9 92.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 43' ' ' ILE . 96.9 mt -64.29 -39.82 94.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.795 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 m -60.02 -44.21 94.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 111.388 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -73.85 -26.18 60.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.98 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 39' ' ' TRP . 23.2 pt -91.83 -30.17 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.476 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.84 12.19 28.56 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.64 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -99.81 31.22 3.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.634 0.254 . . . . 0.0 111.587 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -77.24 -171.63 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.132 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.58 -31.27 8.75 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -174.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 124.78 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 51' ' ' THR . 30.6 m -77.38 89.22 3.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.096 0.474 . . . . 0.0 110.876 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -80.68 103.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.382 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.52 HG23 HG22 ' A' ' 49' ' ' THR . 69.8 p -112.76 -174.27 2.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.79 177.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 p -70.89 1.12 5.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 111.09 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.51 -29.27 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.22 -26.35 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.566 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' A' ' 52' ' ' SER . 28.9 p -105.03 111.76 24.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.338 0.59 . . . . 0.0 110.608 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 26.9 ttp180 -97.18 100.31 11.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -69.05 111.63 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.0 m -76.71 -67.38 0.71 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.1 p80 177.64 -164.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.41 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 11.5 t -112.35 123.62 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -125.03 175.96 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.689 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.04 122.69 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.899 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 3' ' ' ILE . . . -107.82 153.24 41.69 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.036 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' ILE . 6.7 Cg_exo -74.11 146.63 36.92 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.627 2.218 . . . . 0.0 110.96 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -21.36 61.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -55.26 -47.3 75.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.133 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 71' ' ' ILE . 30.6 m -88.62 -18.38 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.366 -175.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 63' ' ' ALA . 43.6 mm -60.04 -48.83 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.52 -34.2 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.78 82.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 67' ' ' VAL . 64.7 mt -67.55 -32.53 57.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.254 0.55 . . . . 0.0 110.354 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -72.27 -34.24 68.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -83.65 -56.42 3.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.562 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -81.54 -33.28 31.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.571 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.11 -13.25 40.74 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.71 159.51 24.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.322 -0.439 . . . . 0.0 109.986 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 64.3 t80 -126.8 126.06 42.75 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 172.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.69 102.41 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.983 0.421 . . . . 0.0 110.489 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 78.7 t80 -85.07 92.56 8.39 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.04 98.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.07 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 52.6 ttm -69.67 -64.78 0.81 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.41 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.881 0.848 . . . . 0.0 109.643 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.81 8.76 64.81 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.946 -176.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.7 m -95.09 -0.75 53.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 0.0 111.37 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.564 -178.712 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' HG23 ' A' ' 68' ' ' ILE . 25.7 ttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 12.3 pm0 -133.24 130.66 39.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.369 -171.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -93.42 121.88 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.284 0.564 . . . . 0.0 111.913 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.01 113.34 22.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.788 171.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.7 t -83.57 111.1 19.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -102.89 115.41 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.687 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.764 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 23.1 t70 -78.69 94.18 5.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 19.3 m -95.61 112.23 23.99 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.668 -170.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -108.23 104.73 14.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.433 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -109.91 112.95 42.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.089 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -84.73 103.27 13.67 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.66 170.91 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.811 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -63.64 -26.06 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.106 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.51 -12.18 50.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.94 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.99 28.21 59.04 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -169.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -114.71 139.45 49.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.506 -0.847 . . . . 0.0 109.324 -176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 t -95.34 104.19 15.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.576 -175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.1 mmm -87.52 97.66 10.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.423 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.684 ' HA ' ' O ' ' A' ' 8' ' ' THR . 8.2 p80 -126.48 120.45 29.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.678 0.752 . . . . 0.0 111.264 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.14 164.02 32.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.922 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 9.7 m-20 -95.83 114.59 26.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.461 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 24' ' ' THR . 48.7 t -91.82 105.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.004 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 44.8 m-85 -87.75 112.69 22.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 HG12 ' A' ' 22' ' ' VAL . 19.1 p -118.85 121.95 41.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.496 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 9.9 t70 -81.12 -29.71 34.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.412 0.625 . . . . 0.0 109.619 172.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.58 114.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.083 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 27' ' ' ARG . 13.5 ttp180 -79.89 88.48 5.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.666 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 10.1 t70 -161.48 135.5 6.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.822 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.52 -26.47 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.666 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 25.1 pttm -90.45 -31.16 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.127 -178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 27.7 mmmt -61.22 -42.91 99.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.48 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 55' ' ' CYS . 88.6 mt -61.0 -48.7 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.742 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 25.3 mm-40 -65.08 -37.11 86.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.791 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -57.97 -43.73 86.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.622 0.248 . . . . 0.0 111.069 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.88 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 110.514 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.59 -33.82 76.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.342 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 28.9 mt-30 -58.22 -35.33 71.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -74.21 -37.92 63.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.243 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.62 -37.78 82.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 33.5 t -67.65 -39.47 84.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -70.03 -39.24 75.89 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.416 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 45' ' ' GLU . 27.6 pt -75.94 -22.58 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.019 0.437 . . . . 0.0 110.636 176.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.64 -0.84 45.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.411 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' H ' HG13 ' A' ' 43' ' ' ILE . 8.2 mm-40 -87.92 11.89 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.897 0.38 . . . . 0.0 110.99 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 8.3 tp10 -60.58 148.03 39.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.385 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.01 -20.36 5.97 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.88 147.21 41.25 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -78.61 104.93 9.55 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.8 0.333 . . . . 0.0 110.734 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 33' ' ' ILE . 75.5 t -106.58 99.01 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -114.78 -173.04 2.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.763 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.418 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 8.9 m -66.21 -13.56 60.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 0.0 110.826 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.96 -25.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.29 -42.19 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.183 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 33' ' ' ILE . 15.4 p -98.73 96.01 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.7 ptt180 -100.23 145.69 27.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.514 -178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -83.28 134.02 34.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.121 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 89.4 m -100.96 -70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -163.57 177.56 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.926 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -123.53 130.55 52.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.106 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -138.87 174.0 10.97 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.073 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -68.97 122.87 19.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.596 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -87.13 129.24 52.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.042 -177.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' O ' HG12 ' A' ' 68' ' ' ILE . 51.1 Cg_exo -54.96 142.87 75.04 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.481 2.121 . . . . 0.0 111.103 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.92 -21.79 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.837 0.351 . . . . 0.0 111.293 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.51 -51.96 60.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.802 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' PRO . 16.9 m -71.65 -20.68 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.449 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.594 HG23 ' SD ' ' A' ' 1' ' ' MET . 44.2 mm -58.95 -44.87 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.139 0.495 . . . . 0.0 110.105 175.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 37.1 tt0 -70.85 -33.26 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.67 78.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.04 -33.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.241 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.0 ttmm -50.71 -39.54 51.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.188 0.518 . . . . 0.0 111.023 174.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -87.81 -47.27 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.256 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -96.44 -29.48 13.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -171.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.82 -6.55 62.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -159.62 166.49 30.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 85.3 t80 -136.67 126.66 25.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.98 101.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 36.1 t80 -84.25 110.09 18.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -76.88 89.27 3.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 42.1 ttm -66.22 -59.08 4.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HB3' ' NE2' ' A' ' 19' ' ' HIS . 39.7 tt0 -164.3 124.11 2.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.041 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 176.44 -54.81 0.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.054 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m -60.23 -35.03 74.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.89 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.247 0.936 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.181 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.781 0.324 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -102.02 155.97 17.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.105 0.478 . . . . 0.0 111.235 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 63' ' ' ALA . 6.5 pt -96.07 124.54 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -89.61 122.51 32.81 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -94.6 110.38 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.88 0.738 . . . . 0.0 111.149 -172.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -108.9 98.28 7.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.115 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.16 105.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -96.58 116.8 29.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 18' ' ' MET . 83.6 m-85 -100.83 110.96 23.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.944 176.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 97.5 t -107.74 114.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.248 0.547 . . . . 0.0 110.062 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -75.95 84.19 2.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.972 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.6 95.72 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -53.13 -35.09 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.109 -0.951 . . . . 0.0 113.49 -174.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.02 -2.74 27.04 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.283 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -117.48 -90.76 1.49 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.97 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -164.7 147.7 8.72 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.52 107.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 9' ' ' TYR . 58.2 mtt -79.6 127.44 32.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' A' ' 81' ' ' MET . 16.3 t-160 -119.3 110.58 17.15 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 169.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -136.95 145.92 44.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -96.26 119.91 35.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.015 0.436 . . . . 0.0 111.019 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -91.98 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.956 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 27.8 m-85 -91.57 123.56 35.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.111 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -151.39 155.39 38.55 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.628 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -11.74 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.509 178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.65 100.26 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.572 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -86.0 63.52 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.594 0.711 . . . . 0.0 111.02 -176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 31' ' ' LYS . 1.1 m-20 -112.96 122.05 46.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.298 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.53 -36.61 78.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.465 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.4 -41.48 89.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 63.6 mmtt -66.04 -38.22 87.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.258 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.36 -49.65 73.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.155 0.502 . . . . 0.0 110.473 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG22 ' HE2' ' A' ' 37' ' ' LYS . 85.1 mt -64.82 -43.06 96.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.779 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.6 tt0 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.663 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -62.94 -38.85 92.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.64 99.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HE2' HG22 ' A' ' 33' ' ' ILE . 57.6 mtmt -70.97 -29.52 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.4 mm100 -64.86 -45.8 84.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.0 110.071 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -65.04 -45.01 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.386 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' ILE . 84.1 mt -58.5 -37.95 76.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . 7.5 t -62.51 -44.56 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.184 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.8 m -65.72 -44.94 84.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.738 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 40' ' ' LEU . 44.7 pt -74.49 -9.44 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.23 33.87 16.15 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.857 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -131.57 29.61 4.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.733 0.301 . . . . 0.0 111.03 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -66.02 121.52 15.3 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.148 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.86 -26.53 0.51 Allowed Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -174.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 131.58 46.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.208 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 m -84.75 92.0 8.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.47 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.524 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 23.8 t -82.55 118.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.411 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 80.6 p -134.31 -170.18 2.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.236 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -67.87 -13.69 62.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -81.99 -34.15 29.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.254 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG3' ' HA ' ' A' ' 50' ' ' VAL . 8.2 mm-40 -82.62 -49.02 10.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.914 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.1 p -93.5 128.74 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.682 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -119.64 120.29 36.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.704 0.288 . . . . 0.0 110.814 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.3 106.42 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.0 m -90.67 -57.69 2.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.837 -176.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -159.31 179.9 8.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.369 0.604 . . . . 0.0 111.883 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.0 m -132.31 146.86 52.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.527 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.91 166.85 27.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.751 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 147.97 43.9 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -117.96 131.36 24.19 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.262 -168.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' HG22 ' A' ' 67' ' ' VAL . 25.1 Cg_exo -63.16 139.67 73.76 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.537 2.158 . . . . 0.0 110.702 171.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.96 -26.9 67.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.992 0.425 . . . . 0.0 110.765 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.09 -46.16 85.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.604 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 64' ' ' PRO . 18.2 m -77.15 -27.66 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.191 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 63' ' ' ALA . 45.6 mm -62.11 -37.51 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 5.6 tp10 -53.71 -38.42 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.54 22.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 67' ' ' VAL . 78.7 mt -61.42 -40.08 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.491 -177.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 69' ' ' GLU . 48.3 mtmt -60.24 -39.49 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.882 0.372 . . . . 0.0 111.659 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -90.48 -48.19 7.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.666 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -81.42 -32.9 32.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 111.368 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.41 -11.5 68.7 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -156.84 159.73 38.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 77.3 t80 -128.86 109.59 11.4 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -82.21 97.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.473 . . . . 0.0 110.427 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -79.31 98.66 6.77 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.01 96.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.708 ' HB3' ' O ' ' A' ' 19' ' ' HIS . 45.0 ttm -81.62 155.73 25.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.573 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -55.87 136.36 51.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 110.602 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 128.92 -26.53 4.48 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 23.9 p -102.43 17.13 24.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.478 0.656 . . . . 0.0 109.796 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--O 1.247 0.95 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.833 -177.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.092 0.472 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 5.0 pm0 -99.28 119.21 37.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.973 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' CD1' ' A' ' 23' ' ' PHE . 11.7 pt -78.62 130.42 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.847 -173.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.484 ' HA ' ' HE1' ' A' ' 57' ' ' PHE . 18.6 m170 -82.14 108.17 15.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' NE2' ' A' ' 59' ' ' HIS . 14.7 t -97.87 112.56 30.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.518 -173.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 56' ' ' ARG . 86.3 m-85 -101.73 88.34 3.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.807 174.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.686 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 21.9 t0 -71.99 99.4 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 17.6 m -88.05 114.29 24.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.927 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -84.46 87.3 7.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.322 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 40' ' ' LEU . 58.0 t -90.71 107.33 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.51 101.72 3.63 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.97 167.35 11.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.381 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -56.61 -33.08 65.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.422 -177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.64 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.97 -5.16 42.22 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.563 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -91.59 150.97 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.266 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -82.04 108.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.095 0.474 . . . . 0.0 111.34 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 63.6 mmm -96.2 90.54 5.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.988 175.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' HA ' ' O ' ' A' ' 8' ' ' THR . 6.0 p80 -110.41 150.14 29.25 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' ASP . 34.3 p90 -155.31 157.84 37.81 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.683 -172.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 6.3 m-20 -96.0 108.02 20.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.189 0.519 . . . . 0.0 110.354 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.5 t -81.16 103.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.566 174.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 3' ' ' ILE . 23.7 m-85 -91.47 118.47 30.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.8 t -148.66 142.3 25.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.433 171.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -88.08 -16.5 33.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.441 0.639 . . . . 0.0 109.714 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.12 139.71 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.071 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -97.52 87.94 4.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -162.91 105.63 1.04 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.573 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.067 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -70.68 -33.19 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.396 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -69.01 -39.15 79.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.444 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.98 97.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 0.0 110.063 176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 50' ' ' VAL . 83.4 mt -58.83 -42.5 85.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.374 174.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 10.2 tp10 -55.78 -49.48 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.442 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' HA ' HE21 ' A' ' 38' ' ' GLN . 24.3 m-85 -62.56 -44.45 96.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.13 81.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.515 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 10.4 mtmp? -64.71 -33.2 75.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 35' ' ' PHE . 45.3 mt-30 -72.15 -29.87 64.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.66 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -76.52 -43.77 37.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.227 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 10' ' ' VAL . 85.9 mt -63.43 -33.65 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.668 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -74.07 -29.77 62.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 0.0 110.783 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -75.01 -36.11 61.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.36 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.0 pt -80.72 -17.53 12.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.43 33.11 6.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.579 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.58 -79.45 0.5 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.074 0.437 . . . . 0.0 110.748 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.52 0.15 1.35 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.601 0.563 . . . . 0.0 112.347 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.95 46.42 2.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.209 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.81 128.56 10.88 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.8 m -80.53 88.57 5.66 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 33' ' ' ILE . 15.9 t -70.49 99.4 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.541 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -140.13 -168.66 2.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.007 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -67.72 0.67 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 0.0 111.334 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.56 -50.44 8.8 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 120.918 0.389 . . . . 0.0 110.608 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -94.06 -32.22 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.0 t -104.45 106.93 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 95.6 mtt180 -130.09 164.13 25.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' HE1' ' HA ' ' A' ' 4' ' ' HIS . 75.6 t80 -84.71 99.27 10.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 83.4 m -86.88 -43.88 12.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.119 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' NE2' HG11 ' A' ' 5' ' ' VAL . 2.2 p80 -154.11 164.8 37.91 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.71 0.767 . . . . 0.0 112.689 -177.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 m -109.51 118.33 36.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.899 -1.501 . . . . 0.0 107.285 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HB3' HD11 ' A' ' 3' ' ' ILE . 16.9 tp10 -118.11 147.05 43.67 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.798 -169.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -77.61 103.71 7.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -72.37 123.32 89.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.996 -174.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 68' ' ' ILE . 48.7 Cg_endo -70.58 159.41 52.88 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.446 2.098 . . . . 0.0 111.378 172.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.15 -33.39 62.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.768 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.27 -53.7 52.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.719 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 m -74.81 -24.41 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.042 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.9 mm -57.61 -46.9 86.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.058 0.456 . . . . 0.0 109.781 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.51 -48.68 80.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.656 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.17 89.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.805 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 23' ' ' PHE . 81.9 mt -68.77 -39.41 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.99 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.47 -30.76 71.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.792 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -82.49 -49.61 9.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.842 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -95.46 -27.61 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -172.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.99 30.22 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -155.76 156.64 35.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.529 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 76.7 t80 -132.79 119.47 20.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.4 mm -90.46 108.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -104.47 113.57 27.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -79.16 108.59 12.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.37 -46.77 87.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 109.902 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' HG2' ' H ' ' A' ' 83' ' ' GLY . 9.3 tt0 -163.66 -171.78 2.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.798 176.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.472 ' H ' ' HG2' ' A' ' 82' ' ' GLU . . . 87.77 -50.11 3.93 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.653 -177.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.4 m -133.82 168.5 18.62 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.689 -175.682 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.691 ' HE2' HG12 ' A' ' 68' ' ' ILE . 51.9 ttp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -87.26 116.26 25.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.984 0.421 . . . . 0.0 110.705 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.8 pt -88.88 133.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.269 0.557 . . . . 0.0 110.965 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -90.17 106.84 18.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.65 105.19 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.73 104.58 16.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.61 96.86 4.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 10' ' ' VAL . 10.3 m -93.15 124.21 36.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.227 0.537 . . . . 0.0 112.146 -167.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.46 102.19 12.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.575 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.464 HG23 HG22 ' A' ' 8' ' ' THR . 94.7 t -115.88 109.12 27.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 61.8 tttm -90.15 126.1 35.68 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.858 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.81 49.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.68 -44.29 96.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.873 0.368 . . . . 0.0 111.158 -174.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -124.9 37.48 4.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.82 -118.74 1.24 Allowed Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.376 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -120.63 171.89 8.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.61 0.243 . . . . 0.0 110.989 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' LYS . 15.4 t -93.55 114.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mtp -79.89 113.34 17.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.215 0.531 . . . . 0.0 110.031 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -103.15 102.7 12.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.04 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -136.79 133.45 35.98 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.86 0.362 . . . . 0.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -95.96 129.43 43.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.486 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 24' ' ' THR . 41.7 t -99.53 115.18 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.578 -176.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 83.4 m-85 -88.07 115.51 25.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.976 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 HG12 ' A' ' 22' ' ' VAL . 31.8 p -126.01 148.27 49.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.114 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -93.03 -42.56 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.29 126.38 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.273 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -74.91 88.28 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.989 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -168.26 136.66 2.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.087 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -90.13 -32.34 16.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 25.8 ttpp -64.6 -44.28 91.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 35' ' ' PHE . 15.4 ttmm -66.34 -27.61 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.26 99.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 109.741 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG12 ' SG ' ' A' ' 55' ' ' CYS . 66.2 mt -61.99 -44.75 99.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.142 175.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 42.0 mt-10 -56.98 -47.38 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.503 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CE2' ' HG2' ' A' ' 31' ' ' LYS . 18.7 m-85 -64.97 -42.09 94.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.964 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.87 -48.11 83.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' ' 33' ' ' ILE . 56.6 mtmt -66.65 -39.36 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.313 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 29.0 mt-30 -59.82 -45.51 92.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.437 177.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -64.38 -45.85 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.62 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.3 mt -58.39 -43.23 88.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.649 177.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.552 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 22.6 t -65.15 -33.92 77.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.86 0.362 . . . . 0.0 110.627 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t -68.92 -40.77 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.2 pt -86.91 -9.47 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.28 4.31 58.48 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.167 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.75 37.2 1.22 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.368 0.604 . . . . 0.0 110.243 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 9.3 pt-20 -83.06 19.38 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.519 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.58 37.78 3.65 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.989 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.76 166.56 22.35 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.5 m -104.38 118.62 37.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -119.03 105.04 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.697 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -111.72 -174.89 2.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 173.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.447 ' HA ' ' SG ' ' A' ' 55' ' ' CYS . 36.3 t -68.06 -5.03 15.41 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.83 -40.95 12.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.38 -37.06 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.8 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.3 p -93.14 93.48 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 0.0 109.808 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -101.8 123.5 45.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.592 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 92.6 t80 -78.07 105.49 9.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.703 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 78.6 m -83.94 -52.53 6.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.094 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -159.15 177.19 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.356 0.598 . . . . 0.0 111.46 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.592 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 9.2 t -139.47 131.37 27.69 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.642 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.27 177.57 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.19 125.76 28.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.125 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.66 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -75.92 139.75 69.91 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.454 -173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 67' ' ' VAL . 40.8 Cg_exo -57.54 145.73 87.45 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.674 2.249 . . . . 0.0 110.492 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' A' ' 68' ' ' ILE . 20.5 t70 -62.95 -32.64 74.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -166.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -80.5 -27.66 37.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.051 -0.406 . . . . 0.0 111.588 -175.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.4 m -76.4 -24.64 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.127 0.489 . . . . 0.0 110.295 -177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.691 HG12 ' HE2' ' A' ' 1' ' ' MET . 94.6 mt -62.85 -50.14 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.335 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.39 -32.66 71.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 0.0 110.217 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.855 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 67' ' ' VAL . 79.3 mt -71.61 -27.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 0.0 110.827 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 74.4 mmtt -74.2 -36.42 63.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.178 0.513 . . . . 0.0 110.419 176.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -77.77 -52.58 8.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -86.76 -23.25 25.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.47 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.32 -28.3 14.68 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -156.09 152.21 27.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 56.3 t80 -119.72 119.27 33.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -103.28 116.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -103.33 125.78 50.14 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -83.7 95.33 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 42.4 ttm -73.51 -65.19 0.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.93 168.71 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.874 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.85 27.99 67.68 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.062 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m -131.51 -8.41 3.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.114 0.483 . . . . 0.0 110.421 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.276 179.296 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.923 0.392 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.79 151.24 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 60' ' ' SER . 20.2 pt -108.77 132.66 56.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.115 0.483 . . . . 0.0 111.027 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.628 ' CE1' ' HG3' ' A' ' 27' ' ' ARG . 19.3 m-70 -95.29 109.08 21.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.49 108.83 18.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.549 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 36.3 m-85 -101.76 99.84 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.864 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -72.29 107.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 15.2 m -97.66 104.82 16.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -83.26 102.29 11.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.64 113.34 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.248 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -74.04 96.39 2.68 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 152.27 24.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.281 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -68.29 -25.14 64.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.266 0.555 . . . . 0.0 110.356 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.29 -28.09 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.573 174.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.34 41.7 1.6 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.778 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -135.9 146.67 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -77.8 85.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.622 . . . . 0.0 109.533 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.749 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 27.7 ttt -86.42 90.62 8.26 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.061 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.554 ' HA ' ' O ' ' A' ' 8' ' ' THR . 2.8 p80 -114.31 135.5 54.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.8 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -132.48 169.23 16.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 -173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -95.76 112.88 24.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.458 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 57.9 t -90.63 99.55 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 73.5 m-85 -86.52 108.38 18.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.142 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.664 ' HB ' HG12 ' A' ' 26' ' ' VAL . 23.2 p -127.76 138.11 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -100.77 -10.14 21.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' A' ' 24' ' ' THR . 12.5 p -59.14 -28.27 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.259 -178.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HG3' ' CE1' ' A' ' 4' ' ' HIS . 9.3 ttm180 69.05 22.84 6.76 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.68 175.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 26' ' ' VAL . 12.1 t70 -115.27 120.98 41.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.044 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.51 -47.59 81.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -175.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -66.86 -38.43 86.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.952 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 tppt? -66.61 -40.75 88.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.8 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 72.6 mt -66.16 -38.01 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.69 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.19 -41.77 89.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.733 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 17.1 m-85 -68.57 -37.4 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.52 99.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.19 -49.82 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.61 -20.96 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.624 0.249 . . . . 0.0 111.353 -177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -77.9 -39.94 41.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.34 -43.25 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -70.34 -23.07 62.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 t -72.32 -36.4 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 45' ' ' GLU . 38.6 pt -92.14 -19.48 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 111.6 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.92 -2.59 35.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.24 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' H ' HG13 ' A' ' 43' ' ' ILE . 21.6 mm-40 -91.1 61.24 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.36 0.6 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -93.3 43.78 1.13 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.655 0.741 . . . . 0.0 109.45 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.91 33.57 6.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.29 129.48 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.719 0.295 . . . . 0.0 111.125 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -80.72 99.52 8.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 32.2 t -82.37 106.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.176 0.512 . . . . 0.0 111.141 -173.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -116.18 -175.19 2.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.283 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 m -68.99 -10.64 58.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.688 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -78.6 -31.58 47.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.074 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.28 -48.67 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.811 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 46.1 t -94.87 97.49 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -107.53 118.37 36.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.139 0.495 . . . . 0.0 111.735 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 65.6 t80 -58.62 122.31 13.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.171 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.97 -56.98 2.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -164.33 167.3 19.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 111.876 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 15.7 m -123.27 131.37 53.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.022 174.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -158.12 -168.09 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.708 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -71.82 151.79 43.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.466 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -130.81 145.52 58.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.396 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.597 ' O ' HG12 ' A' ' 68' ' ' ILE . 33.3 Cg_endo -65.31 153.68 77.14 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.877 2.384 . . . . 0.0 112.4 176.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.89 -41.14 44.99 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.78 -55.03 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.958 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.6 m -69.39 -26.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.246 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.1 mm -53.54 -57.53 5.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.856 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.509 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.91 -48.81 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 67' ' ' VAL . 86.8 mt -64.24 -37.67 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.595 0.236 . . . . 0.0 111.102 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HE2' HG22 ' A' ' 68' ' ' ILE . 54.9 mtmt -70.14 -17.87 63.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -99.76 -49.4 4.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 0.0 110.541 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -81.04 -26.94 35.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.77 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.12 -22.17 42.24 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.531 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -163.66 154.81 16.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.0 t80 -127.73 126.88 42.66 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.89 113.51 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 110.786 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -109.77 122.4 47.4 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -75.37 107.0 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.446 ' HG2' ' OE2' ' A' ' 82' ' ' GLU . 32.4 ttm -74.99 -74.8 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 18' ' ' MET . 7.2 mp0 -118.19 96.92 5.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 170.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.749 ' HA3' ' HG3' ' A' ' 18' ' ' MET . . . -175.18 55.86 0.12 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.298 -177.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 p -173.1 -49.97 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.8 m120 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.82 173.408 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.97 124.65 40.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 63' ' ' ALA . 1.9 pt -93.64 124.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.356 0.598 . . . . 0.0 110.906 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -83.07 106.59 15.01 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.56 106.41 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 123.449 0.468 . . . . 0.0 111.272 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -104.56 98.22 8.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.56 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.51 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 32.1 t70 -72.09 106.81 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.777 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' CYS . 14.5 m -110.63 102.57 11.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.133 0.492 . . . . 0.0 111.526 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -96.99 92.62 6.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 87.6 t -87.1 106.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -77.51 94.72 4.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.3 154.14 36.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.446 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -70.27 -53.65 15.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -173.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -121.99 -3.01 9.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.462 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.02 -103.48 0.49 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.459 -0.877 . . . . 0.0 110.912 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -165.47 169.02 16.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.3 107.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.47 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 97.3 mmm -71.9 110.01 6.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.416 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -91.39 102.81 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' HA ' ' H ' ' A' ' 81' ' ' MET . 42.7 p90 -158.78 156.47 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.21 152.68 47.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.264 0.554 . . . . 0.0 110.623 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -107.42 115.4 48.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.848 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 60.3 m-85 -91.35 113.48 25.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.1 t -131.82 150.75 52.06 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.566 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -86.52 -20.21 28.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.594 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 28' ' ' ASP . 95.5 t -63.17 141.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.345 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 2.5 mpt_? -102.38 23.55 11.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.315 0.578 . . . . 0.0 110.308 -174.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' H ' HG12 ' A' ' 26' ' ' VAL . 12.5 t70 -118.18 120.84 38.93 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.361 -175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.79 -35.66 81.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.96 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.03 -37.05 72.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.764 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 28' ' ' ASP . 63.0 mmtt -65.81 -37.43 86.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.189 176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.32 94.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.063 0.459 . . . . 0.0 110.006 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG12 ' SG ' ' A' ' 55' ' ' CYS . 77.2 mt -61.11 -43.72 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.453 174.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 36.4 tt0 -56.91 -51.44 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.785 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.61 -40.73 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.91 -43.02 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.034 0.445 . . . . 0.0 110.236 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.48 -37.73 88.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.517 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 34' ' ' GLU . 98.1 mt-30 -56.24 -38.14 70.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -76.71 -38.63 53.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.13 0.49 . . . . 0.0 110.161 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 43' ' ' ILE . 95.7 mt -65.05 -30.18 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -67.27 -36.22 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -69.55 -40.29 76.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.005 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 40' ' ' LEU . 32.0 pt -86.75 -10.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.985 0.421 . . . . 0.0 111.003 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.51 32.04 62.46 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.199 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -115.83 18.54 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.918 0.359 . . . . 0.0 111.567 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.52 23.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.44 -15.66 79.02 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.076 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.05 30.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -77.57 89.94 3.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.175 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.14 97.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.517 0.675 . . . . 0.0 110.14 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 53' ' ' GLU . 7.0 t -131.43 179.13 6.22 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.456 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -48.46 -25.79 1.82 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.44 1.096 . . . . 0.0 113.053 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' H ' HG23 ' A' ' 51' ' ' THR . 29.0 tt0 -78.82 -35.57 43.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -93.4 -28.67 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.923 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' ILE . 24.8 p -108.7 94.4 5.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 171.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -92.73 124.99 37.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.146 -173.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -74.26 123.98 25.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.303 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 7' ' ' ASP . 59.4 m -87.77 -63.9 1.23 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.705 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -175.78 -177.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.942 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m -119.53 125.7 49.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.522 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -132.07 177.48 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -66.59 144.65 56.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -94.14 126.48 48.52 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.39 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 67' ' ' VAL . 33.1 Cg_exo -61.6 129.41 27.82 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.156 1.904 . . . . 0.0 110.114 170.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 68' ' ' ILE . 33.9 t70 -55.45 -30.1 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.913 0.387 . . . . 0.0 111.506 -174.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.77 -22.11 63.75 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.336 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 64' ' ' PRO . 2.5 m -103.42 -12.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 111.34 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 65' ' ' ASP . 61.8 mt -76.69 -36.58 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -167.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.35 -39.41 92.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.369 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.04 93.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.02 -34.03 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.9 -36.84 84.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -85.05 -44.7 12.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -94.82 -31.72 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.65 -6.98 63.1 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.46 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -155.4 151.48 27.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.664 0.269 . . . . 0.0 110.505 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 80.4 t80 -124.3 110.59 14.8 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.5 mm -83.81 99.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.977 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 81' ' ' MET . 91.0 t80 -85.72 110.73 19.53 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.675 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.56 ' HD3' ' SG ' ' A' ' 84' ' ' CYS . 85.1 mttt -76.91 93.37 3.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 48.4 ttm -55.14 -62.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.63 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -160.64 18.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.458 0.647 . . . . 0.0 109.548 177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.36 -30.94 73.56 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.506 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.56 ' SG ' ' HD3' ' A' ' 80' ' ' LYS . 57.8 m -102.96 101.04 11.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.985 0.421 . . . . 0.0 109.967 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.643 -0.694 . . . . 0.0 110.371 -175.545 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' HB2' ' A' ' 25' ' ' ASP . 28.0 ttt . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -101.81 122.61 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.969 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.545 HG23 ' HB2' ' A' ' 63' ' ' ALA . 10.3 pt -95.75 127.47 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.233 0.54 . . . . 0.0 111.36 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 11.3 m-70 -81.24 112.76 18.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.467 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -84.65 103.13 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.872 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 98.3 m-85 -105.84 88.41 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.52 173.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 8.2 p-10 -79.63 120.26 23.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 121.599 0.714 . . . . 0.0 109.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 19' ' ' HIS . 6.1 m -101.79 134.23 45.29 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.079 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -104.38 84.35 2.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.204 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.572 ' HB ' ' HB2' ' A' ' 18' ' ' MET . 48.9 t -89.6 119.26 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 12.0 mptt -82.43 95.67 7.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.52 150.82 36.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.364 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.69 -21.17 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.369 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.12 7.74 1.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.41 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.89 24.84 76.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.88 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -119.91 130.08 54.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.89 0.376 . . . . 0.0 110.779 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -81.38 99.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.572 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 90.6 mmm -79.92 90.75 5.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 8' ' ' THR . 10.3 t-160 -98.44 101.12 12.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.656 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.64 149.9 46.62 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.962 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 5.8 m-20 -96.0 116.07 28.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.369 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 HG23 ' A' ' 24' ' ' THR . 47.0 t -87.96 98.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 41.9 m-85 -84.06 116.4 22.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.743 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.457 HG23 HG12 ' A' ' 22' ' ' VAL . 9.0 p -129.35 140.8 51.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.617 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 29.5 t70 -80.08 -35.4 37.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.5 t -60.45 119.87 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.57 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.825 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -94.51 36.63 1.15 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.411 0.624 . . . . 0.0 110.974 -173.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -102.46 154.31 19.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.946 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -86.32 -46.71 10.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -71.28 -39.8 71.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.774 -174.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -59.79 -40.0 86.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.076 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.66 84.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG23 HG12 ' A' ' 50' ' ' VAL . 83.6 mt -62.95 -37.99 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.685 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 40.0 tt0 -64.33 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.41 -36.98 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.09 91.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.171 0.51 . . . . 0.0 110.564 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 34' ' ' GLU . 8.3 mtmp? -73.63 -26.78 60.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.158 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.8 mm100 -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -66.01 -37.66 86.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.362 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.7 -37.78 87.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.479 176.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 32.4 t -66.07 -38.12 87.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 t -59.98 -45.53 92.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.925 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -79.15 -11.54 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 10.55 38.86 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.426 -0.893 . . . . 0.0 113.739 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -96.77 -2.77 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 33.6 mt-10 66.56 -76.04 0.05 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.862 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.81 101.91 0.15 Allowed Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.217 -177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -175.4 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m -71.25 89.17 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.112 0.482 . . . . 0.0 110.384 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 33' ' ' ILE . 51.2 t -104.03 108.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.349 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.6 p -106.58 -172.5 2.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.799 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -83.16 -8.53 59.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -85.64 -39.91 16.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.446 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -74.95 -46.59 34.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.407 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 6' ' ' TYR . 15.6 t -95.44 95.73 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -97.36 135.46 39.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.61 -167.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -92.76 107.22 19.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.04 -65.6 0.98 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.725 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -166.41 -178.39 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.769 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.8 m -115.67 113.22 23.22 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -118.91 -177.0 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.39 . . . . 0.0 111.515 -173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 62' ' ' LYS . 2.8 mptp? -69.75 142.19 53.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.269 -176.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 3' ' ' ILE . . . -110.36 116.36 53.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.561 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.58 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.6 Cg_exo -74.24 157.47 45.93 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.739 2.293 . . . . 0.0 111.019 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 29.3 t70 -55.06 -24.27 24.2 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 111.721 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -49.09 -48.99 43.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.07 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -93.83 -21.46 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.2 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 64' ' ' PRO . 46.9 mm -54.29 -59.87 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -30.91 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -53.83 9.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.739 0.304 . . . . 0.0 111.149 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.68 -33.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -71.97 -24.77 61.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.151 0.5 . . . . 0.0 111.177 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -85.26 -57.64 3.0 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -97.23 -40.29 8.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.568 -175.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.51 -30.97 2.64 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.101 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -145.93 168.73 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.904 0.352 . . . . 0.0 111.18 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 66.7 t80 -132.01 119.99 21.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 110.332 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.3 mm -94.86 102.84 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.671 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 82.0 t80 -85.04 112.71 20.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.344 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.574 ' HD2' ' SG ' ' A' ' 84' ' ' CYS . 28.9 mmtp -71.34 98.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.68 172.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.448 ' HA ' ' CE2' ' A' ' 79' ' ' TYR . 46.3 ttm -58.42 -56.71 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.09 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.611 175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.56 111.04 2.13 Favored Glycine 0 N--CA 1.452 -0.286 0 O-C-N 124.052 0.845 . . . . 0.0 113.5 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.574 ' SG ' ' HD2' ' A' ' 80' ' ' LYS . 69.7 m -143.01 -53.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.582 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.748 0.309 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -113.53 145.61 40.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 63' ' ' ALA . 43.0 pt -110.37 149.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.713 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.655 ' HB3' ' CE2' ' A' ' 6' ' ' TYR . 9.2 m170 -89.57 121.74 32.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.86 176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.79 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 4' ' ' HIS . 95.7 m-85 -109.59 104.31 13.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.184 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.66 107.4 4.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -106.66 120.7 42.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.084 0.469 . . . . 0.0 111.829 -171.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -86.84 102.23 14.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.367 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -107.88 109.15 27.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.479 . . . . 0.0 110.101 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -83.87 105.0 14.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.463 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.94 146.47 43.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -62.99 -37.54 87.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.829 0.347 . . . . 0.0 111.049 -172.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.08 24.17 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.572 0.701 . . . . 0.0 109.615 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -120.4 28.64 6.19 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.703 -175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 83.9 t60 73.33 147.21 0.09 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 111.19 177.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.11 110.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.708 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 73.5 mtp -79.84 116.61 20.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.53 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -102.73 116.91 33.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 45.3 p90 -144.96 149.86 35.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -96.06 113.39 25.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.596 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -83.61 103.01 10.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 77' ' ' PHE . 42.4 m-85 -83.7 107.37 16.09 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -122.71 145.57 48.27 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.768 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 71' ' ' ILE . 5.3 t70 -79.69 -42.0 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 0.0 110.557 175.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 28' ' ' ASP . 8.8 t -64.77 142.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.544 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 4' ' ' HIS . 55.1 mtm180 -98.05 23.21 8.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.97 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 26' ' ' VAL . 4.3 m-20 -104.54 121.81 44.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.229 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -61.03 -39.62 90.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -59.13 -38.25 79.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 40.9 tptt -74.96 -39.49 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.55 80.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 109.966 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.474 HG22 ' HE2' ' A' ' 37' ' ' LYS . 83.0 mt -59.68 -43.45 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.393 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.34 -46.1 91.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.072 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 31' ' ' LYS . 13.0 m-85 -61.0 -41.13 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.805 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -63.69 -43.76 95.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 33' ' ' ILE . 53.2 mtmt -70.56 -34.29 72.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.391 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.027 0.441 . . . . 0.0 109.966 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -68.86 -43.83 74.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.981 175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 94.7 mt -59.35 -40.45 86.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 62.4 m -62.35 -36.23 81.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.691 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -71.16 -39.01 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.816 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG12 ' HA ' ' A' ' 40' ' ' LEU . 39.6 pt -80.87 -8.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.403 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.7 14.44 31.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.73 173.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -97.17 -9.56 27.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.587 -0.361 . . . . 0.0 110.475 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 45.1 mt-10 61.77 -88.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.956 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.64 95.65 0.15 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.16 -176.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m -65.93 96.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.762 0.315 . . . . 0.0 110.43 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.91 96.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.171 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -125.4 -168.09 1.78 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.058 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -56.54 -25.42 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.27 0.356 . . . . 0.0 111.758 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.66 -43.97 44.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.273 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -76.37 -33.52 58.92 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.61 114.6 26.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.218 0.532 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -102.09 126.29 49.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -79.27 107.87 12.35 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 60.0 m -73.91 -60.03 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 178.01 -178.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.253 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 19.7 m -122.25 120.92 35.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -135.68 170.7 15.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.828 0.347 . . . . 0.0 111.544 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.84 128.45 35.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.987 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -98.41 152.27 37.87 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.508 -176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' HG12 ' A' ' 68' ' ' ILE . 31.4 Cg_exo -59.57 142.47 98.9 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.443 2.096 . . . . 0.0 110.782 172.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.38 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.962 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.38 -48.55 81.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.607 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 71' ' ' ILE . 21.0 m -79.04 -13.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.746 0.308 . . . . 0.0 111.131 -175.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 64' ' ' PRO . 49.4 mm -62.0 -33.4 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -45.54 94.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.672 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.17 89.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.992 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 67' ' ' VAL . 46.4 mm -67.16 -36.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.234 0.54 . . . . 0.0 110.807 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -76.96 -30.88 56.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.99 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -83.5 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.392 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.11 -24.34 18.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 71' ' ' ILE . . . 100.25 -8.4 58.91 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.481 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -156.76 160.34 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' HD2' ' HD2' ' A' ' 23' ' ' PHE . 82.9 t80 -137.41 123.69 20.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.583 175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.5 mm -94.13 108.03 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -111.34 116.01 30.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.02 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 20' ' ' PHE . 55.7 mtmt -80.26 131.81 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.949 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 34.6 ttm -76.91 -54.44 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.459 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.68 166.81 23.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.196 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.48 9.27 85.06 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.221 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.431 ' C ' HD22 ' A' ' 85' ' ' ASN . 4.3 p -127.27 95.65 4.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.646 -178.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.431 HD22 ' C ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.122 -0.942 . . . . 0.0 109.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' OD1' ' A' ' 25' ' ' ASP . 26.2 ttt . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.773 0.32 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -147.45 140.22 24.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.436 ' HB ' ' HD1' ' A' ' 23' ' ' PHE . 12.1 pt -70.72 123.64 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.664 . . . . 0.0 111.875 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -94.04 113.85 25.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 23' ' ' PHE . 27.1 t -87.22 108.33 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.878 -175.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 86.8 m-85 -107.43 92.81 4.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 12.2 t70 -69.55 105.73 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -107.24 122.11 45.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.132 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 74.8 m-85 -85.58 126.85 34.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.392 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HD21 ' A' ' 40' ' ' LEU . 60.7 t -120.79 111.8 33.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -78.84 107.18 11.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.39 148.85 35.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.83 -39.72 94.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -147.6 -17.54 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 16' ' ' HIS . . . -82.76 29.46 3.34 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.657 -176.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 54.2 t60 74.44 137.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.752 0.787 . . . . 0.0 112.35 174.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 113.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.277 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.435 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 68.8 mtm -102.91 142.16 34.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.05 137.89 31.39 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -136.61 169.22 18.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.598 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . 11.3 m-20 -95.69 111.76 23.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 6' ' ' TYR . 47.4 t -87.77 105.13 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 77' ' ' PHE . 93.3 m-85 -94.46 113.15 24.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.582 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -140.48 157.62 45.24 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.223 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 30.3 t70 -93.96 -15.14 25.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.227 0.537 . . . . 0.0 110.069 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.67 131.12 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -98.14 81.75 2.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -168.76 132.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.052 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.38 -33.13 32.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.74 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -67.92 -44.73 76.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -65.38 -33.84 76.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.236 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.95 83.66 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.439 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.15 -40.87 79.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.206 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 tt0 -59.13 -47.04 86.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.755 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -59.19 -43.4 92.22 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -59.74 -44.19 93.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.998 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.18 -34.72 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 15.6 mm100 -57.7 -46.47 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.719 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -65.08 -40.43 94.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.258 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 48' ' ' ALA . 91.6 mt -64.75 -44.3 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.335 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.669 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.2 m -61.96 -34.58 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.996 0.427 . . . . 0.0 110.425 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -71.66 -45.57 61.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -72.12 -23.45 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.32 -14.7 5.86 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.12 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.48 -34.62 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.761 0.281 . . . . 0.0 110.681 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 9.2 tp10 70.0 -72.92 0.1 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.114 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.39 108.33 0.69 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -121.2 156.27 32.76 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -69.47 104.98 2.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.867 0.365 . . . . 0.0 111.217 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.25 101.87 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.147 0.498 . . . . 0.0 109.822 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 p -121.41 -168.08 1.62 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.139 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 m -69.79 -7.04 36.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -82.56 -42.85 17.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.149 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 12.5 mm-40 -89.82 -42.95 10.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.072 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.91 109.07 21.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -125.46 147.45 49.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.416 ' HZ ' ' HB2' ' A' ' 60' ' ' SER . 78.2 t80 -87.26 112.82 22.42 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 7' ' ' ASP . 72.8 m -91.22 -48.19 7.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.816 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -169.15 172.84 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.392 0.615 . . . . 0.0 110.761 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HZ ' ' A' ' 57' ' ' PHE . 12.9 t -144.46 139.13 28.13 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.888 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -162.59 178.25 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.298 -169.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -54.02 110.81 0.64 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 124.034 0.834 . . . . 0.0 111.082 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 3' ' ' ILE . . . -79.85 129.73 69.67 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.919 -177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 67' ' ' VAL . 31.8 Cg_exo -59.54 144.38 99.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.504 2.136 . . . . 0.0 110.889 171.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.701 0.286 . . . . 0.0 111.756 -174.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.32 -34.41 76.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' PRO . 14.6 m -73.9 -18.79 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.683 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' HE3' ' A' ' 72' ' ' LYS . 45.4 mm -62.36 -38.4 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.084 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 10.3 tp10 -60.12 -44.4 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.08 93.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.939 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 67' ' ' VAL . 63.3 mt -66.75 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HE3' HG22 ' A' ' 68' ' ' ILE . 99.4 mttt -67.73 -55.41 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.14 0.495 . . . . 0.0 110.637 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 70.2 mm-40 -69.59 -50.33 45.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.154 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.96 -19.01 19.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.316 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.74 -13.32 67.04 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.303 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -161.54 142.37 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.439 . . . . 0.0 110.141 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' HB2' ' A' ' 23' ' ' PHE . 65.0 t80 -106.28 115.88 30.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 176.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.8 mm -90.09 109.79 21.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . 43.3 t80 -96.4 106.41 18.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.31 99.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.262 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.9 ttm -72.55 159.95 33.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.405 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.8 129.71 20.33 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.456 0.646 . . . . 0.0 111.608 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.76 -19.4 14.12 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.65 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 18' ' ' MET . 24.5 m -98.74 143.41 29.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.59 176.689 . . . . . . . . 0 0 . 1 stop_ save_