data_5i8n_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 5i8n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.54 ' HG2' ' OE1' ' A' ' 9' ' ' GLU . 40.7 mtp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 112.533 0.568 . . . . 3.29 112.533 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -119.21 175.94 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 1.65 109.879 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.5 -48.01 76.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.926 0.394 . . . . 2.51 110.769 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.703 ' CD2' ' HA ' ' B' ' 15' ' ' ILE . 34.0 mt -69.31 -41.37 76.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.038 -0.528 . . . . 2.42 111.365 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.54 ' OE1' ' HG2' ' A' ' 5' ' ' MET . 2.8 tm-20 -63.51 -50.01 71.29 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.182 0.301 . . . . 2.29 110.763 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtm180 -55.95 -42.64 76.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.199 0.523 . . . . 4.15 110.514 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.559 ' ND2' ' HB ' ' B' ' 14' ' ' THR . 2.6 m120 -62.04 -39.39 92.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.46 -0.791 . . . . 2.22 111.525 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 8' ' ' LEU . 66.8 mt -67.88 -46.96 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.949 -0.389 . . . . 1.05 109.949 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.34 -44.11 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.95 110.147 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.557 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 47.1 m -59.06 -41.12 87.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.244 -0.434 . . . . 0.96 110.451 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.73 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 20.2 mt -65.56 -49.59 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.109 -0.496 . . . . 1.12 110.742 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' B' ' 90' ' ' SER . 96.8 mt -54.41 -52.82 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.53 -0.759 . . . . 1.16 111.626 -178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 14' ' ' THR . 9.7 p30 -70.53 -32.87 70.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.323 -0.551 . . . . 2.45 112.207 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.709 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 8.8 m -75.85 -47.59 24.95 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.281 -0.568 . . . . 1.42 110.391 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -53.48 -41.05 65.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.317 -0.623 . . . . 4.47 109.317 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.429 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 35.6 m170 -69.39 -21.92 63.75 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.465 -0.789 . . . . 3.54 112.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.709 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt20 -68.88 -31.57 70.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.996 0.817 . . . . 1.64 109.049 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD2' HD22 ' A' ' 40' ' ' LEU . 93.7 m-85 -77.66 -30.83 52.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 2.26 110.003 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' A' ' 31' ' ' THR . 2.4 m -76.71 -29.72 56.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.538 0.685 . . . . 1.35 111.161 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.8 p -78.04 -3.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 1.26 111.569 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.2 -23.81 67.45 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.531 . . . . 2.74 110.598 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -88.74 -6.86 57.14 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.226 0.454 . . . . 2.65 112.226 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.96 -120.51 4.5 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.346 -0.701 . . . . 1.43 111.346 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -60.64 112.73 6.06 Favored Pre-proline 0 C--O 1.231 0.116 0 N-CA-C 106.111 -1.811 . . . . 4.53 106.111 166.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 66.8 Cg_endo -75.13 39.78 0.62 Allowed 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 115.155 1.175 . . . . 3.25 115.155 -153.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.59 2.82 5.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.98 2.173 . . . . 2.56 113.472 -147.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.725 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 11.9 t -157.82 173.1 17.32 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 123.158 0.583 . . . . 1.92 111.145 -168.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' CD2' ' HG ' ' A' ' 23' ' ' SER . 20.1 mt -120.37 118.41 30.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.382 -0.969 . . . . 1.23 108.382 158.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -82.74 -176.81 6.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.644 -0.822 . . . . 2.75 109.088 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.564 ' HA ' ' CG ' ' A' ' 63' ' ' MET . 35.7 tt0 -51.93 -45.69 64.41 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.5 -0.318 . . . . 2.11 111.757 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -40.2 48.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.671 -0.776 . . . . 0.46 112.415 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.6 -40.18 76.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.71 -0.245 . . . . 2.0 110.725 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.87 -46.2 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 2.37 110.912 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -57.78 -46.48 84.52 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.362 -0.381 . . . . 1.95 110.683 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 41.1 tt0 -62.11 -45.85 91.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 1.74 110.819 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 22' ' ' TYR . 2.0 tm? -51.72 -53.64 37.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 2.07 110.207 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.501 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 95.9 t -64.4 -37.49 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.36 0.6 . . . . 1.18 110.536 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.9 ttm180 -67.89 -29.23 68.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.649 -0.705 . . . . 3.84 111.631 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HZ3' ' HA ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -98.46 -53.53 3.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.309 0.485 . . . . 2.86 112.309 -175.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' B' ' 8' ' ' LEU . 1.7 m-20 -95.92 -41.19 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.698 0.629 . . . . 1.88 112.698 -172.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 72.1 mt -88.0 1.96 52.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 1.29 110.41 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.4 pt20 -52.06 -21.6 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.023 -0.99 . . . . 2.21 111.775 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 2.2 p30 -97.56 -49.68 4.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.162 -0.472 . . . . 2.9 111.284 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' A' ' 86' ' ' LEU . 1.5 m-30 -69.86 -35.25 74.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.457 0.646 . . . . 2.75 110.751 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.3 22.71 15.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.742 -0.663 . . . . 1.36 109.79 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 11.1 ptmt -48.8 -42.51 36.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.899 0.703 . . . . 2.82 112.899 -174.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -62.61 -36.76 83.78 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.651 0.739 . . . . 2.0 110.098 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.4 tt0 -75.19 -32.75 61.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.704 -1.134 . . . . 2.13 110.064 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.597 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 25.8 t-20 -65.78 -16.77 64.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.117 -0.947 . . . . 1.7 111.286 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -80.86 -13.99 58.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 3.82 110.247 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -125.58 145.35 50.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.749 -0.463 . . . . 1.95 109.749 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -89.23 -33.53 16.96 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.922 0.392 . . . . 2.46 110.558 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.95 -30.04 70.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 3.01 111.725 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 11.7 t -68.86 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 1.43 109.53 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.95 -37.81 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.337 -0.847 . . . . 1.76 110.013 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.14 -35.4 73.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.034 -0.53 . . . . 1.86 110.887 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -63.06 -49.06 76.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.447 -0.342 . . . . 2.45 110.118 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' ' 66' ' ' LEU . 54.0 mt -65.86 -34.49 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.532 0.682 . . . . 1.92 110.314 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.564 ' CG ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -52.88 -50.87 62.97 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.808 -1.542 . . . . 1.27 110.361 176.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.551 ' O ' ' HB3' ' A' ' 67' ' ' ASP . 34.0 tt0 -112.71 -28.72 7.68 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 115.399 -2.521 . . . . 2.37 110.431 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.87 -39.4 81.25 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.922 -0.486 . . . . 1.93 111.392 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 62' ' ' ILE . 10.9 mp -77.02 -15.97 59.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.805 0.336 . . . . 1.87 111.322 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 64' ' ' GLU . 7.7 t70 -68.5 78.37 0.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.295 1.045 . . . . 1.39 109.887 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.0 p -69.06 -27.89 66.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.121 -1.399 . . . . 2.54 111.44 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.5 -0.7 56.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.72 . . . . 2.89 109.709 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . . . 56.61 41.72 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.681 -1.145 . . . . 1.71 113.454 166.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.34 10.79 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.865 0.364 . . . . 1.95 110.635 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER 63.63 38.9 9.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.962 0.887 . . . . 2.22 108.826 -176.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.725 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 26.6 mt-30 -143.21 166.57 24.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.863 -1.517 . . . . 2.32 108.528 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 73' ' ' GLN . 50.9 mt -129.67 113.13 14.39 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.474 -0.491 . . . . 1.34 110.49 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -76.16 170.42 16.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.301 -0.863 . . . . 1.78 108.983 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.748 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 3.9 m-85 -49.74 -44.65 48.7 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.168 0.293 . . . . 3.75 111.216 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.569 ' O ' HG21 ' A' ' 80' ' ' ILE . 43.5 mt-10 -67.86 -33.67 75.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.964 0.411 . . . . 2.03 111.708 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 81' ' ' MET . 32.1 mt-10 -76.15 -47.49 24.09 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.284 0.564 . . . . 3.18 110.42 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.748 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 2.4 p90 -71.39 -26.76 62.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 119.039 -1.064 . . . . 3.91 110.446 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.569 HG21 ' O ' ' A' ' 77' ' ' GLU . 4.2 tp -65.8 -40.09 86.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.182 -0.607 . . . . 2.63 110.724 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.619 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.0 ptp -63.92 -26.23 68.5 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.627 -0.429 . . . . 2.19 110.497 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.614 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.2 tm? -57.86 -43.37 85.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.136 -0.69 . . . . 1.99 109.136 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.514 ' HE1' ' O ' ' A' ' 79' ' ' PHE . 1.9 mpp? -63.4 -24.87 68.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.984 -0.553 . . . . 1.59 111.501 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.507 ' HB2' HG22 ' B' ' 80' ' ' ILE . . . -76.59 -38.25 55.14 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.897 0.38 . . . . 1.16 110.506 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 81' ' ' MET . 22.3 mtp-105 -59.34 -42.79 92.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.996 0.903 . . . . 2.07 108.714 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 48' ' ' PHE . 21.6 tp -72.29 -26.54 62.01 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 114.43 -1.259 . . . . 2.16 110.136 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.0 m -65.67 -36.24 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.591 -0.277 . . . . 1.2 110.499 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.58 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 91.2 t90 -66.48 -37.62 85.51 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.412 -0.588 . . . . 4.33 109.412 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.85 89.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.563 . . . . 1.84 110.796 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB2' HD11 ' B' ' 16' ' ' ILE . 18.1 m -73.75 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.182 -0.463 . . . . 2.14 110.611 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.6 t-80 -67.8 -36.02 79.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.015 -0.735 . . . . 3.9 109.015 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.9 mm-40 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 114.778 -1.101 . . . . 3.3 110.489 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.562 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 40.4 mtp . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 112.489 0.551 . . . . 3.29 112.489 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.59 175.79 5.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.558 . . . . 1.66 109.837 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -64.22 -47.97 77.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.781 0.324 . . . . 2.52 110.902 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.73 ' CD2' ' HA ' ' A' ' 15' ' ' ILE . 33.2 mt -69.4 -41.34 76.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.08 -0.509 . . . . 2.42 111.372 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' HG2' ' B' ' 5' ' ' MET . 2.8 tm-20 -63.56 -50.08 70.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 123.201 0.313 . . . . 2.28 110.679 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -55.98 -42.56 76.51 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.208 0.528 . . . . 4.16 110.515 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.557 ' ND2' ' HB ' ' A' ' 14' ' ' THR . 2.6 m120 -62.17 -39.21 91.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 2.21 111.565 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 8' ' ' LEU . 66.4 mt -67.9 -47.25 79.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.964 -0.384 . . . . 1.06 109.964 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -57.98 -44.17 86.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 1.95 110.21 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.559 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 52.1 m -59.29 -40.87 87.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.263 -0.426 . . . . 0.96 110.554 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.703 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.0 mt -65.64 -49.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 1.13 110.728 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 90' ' ' SER . 96.9 mt -54.26 -52.84 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.55 -0.75 . . . . 1.16 111.667 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' B' ' 14' ' ' THR . 9.9 p30 -70.45 -32.9 70.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.385 -0.526 . . . . 2.45 112.187 -175.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.701 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 8.9 m -75.94 -47.51 24.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.387 -0.525 . . . . 1.41 110.351 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 2.5 m-85 -53.46 -41.15 65.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.298 -0.63 . . . . 4.47 109.298 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 35.5 m170 -69.45 -21.69 63.7 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.417 -0.811 . . . . 3.55 112.94 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.701 ' HG2' ' O ' ' B' ' 18' ' ' THR . 8.7 pt20 -69.05 -31.72 70.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.982 0.81 . . . . 1.64 108.898 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.535 ' CD2' HD22 ' B' ' 40' ' ' LEU . 93.6 m-85 -77.7 -30.7 51.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 2.25 109.903 173.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.522 ' HB3' ' O ' ' B' ' 31' ' ' THR . 2.4 m -76.62 -29.84 56.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.541 0.686 . . . . 1.35 111.189 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -77.92 -3.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.497 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.21 -23.7 67.4 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 2.74 110.606 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -88.68 -6.91 57.15 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.156 -0.474 . . . . 2.65 112.178 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.6 -121.45 4.86 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 110.99 -0.844 . . . . 1.43 110.99 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -59.45 112.46 5.25 Favored Pre-proline 0 C--O 1.232 0.137 0 N-CA-C 106.374 -1.713 . . . . 4.53 106.374 166.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.535 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 65.0 Cg_endo -75.23 39.76 0.63 Allowed 'Trans proline' 0 CA--C 1.517 -0.334 0 N-CA-C 115.258 1.215 . . . . 3.25 115.258 -153.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.71 3.0 5.55 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 121.995 2.179 . . . . 2.56 113.337 -147.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.719 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 12.0 t -157.82 173.18 17.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.164 0.586 . . . . 1.92 111.175 -168.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.435 ' CD2' ' HG ' ' B' ' 23' ' ' SER . 20.2 mt -120.51 118.38 30.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.318 -0.993 . . . . 1.23 108.318 158.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.69 -176.77 6.44 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.763 -0.775 . . . . 2.74 109.068 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.564 ' HA ' ' CG ' ' B' ' 63' ' ' MET . 35.4 tt0 -51.83 -46.01 64.17 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.46 -0.336 . . . . 2.11 111.75 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.6 -40.09 47.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.68 -0.772 . . . . 0.46 112.297 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.64 -39.89 76.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.654 0.264 . . . . 2.01 110.755 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.97 -46.15 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.385 . . . . 2.37 110.952 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -57.74 -46.7 84.11 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.305 -0.407 . . . . 1.95 110.707 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 41.7 tt0 -61.86 -45.72 92.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.053 -0.521 . . . . 1.75 110.89 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' B' ' 22' ' ' TYR . 2.0 tm? -51.92 -53.66 38.44 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.87 0.367 . . . . 2.07 110.201 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 96.8 t -64.29 -37.45 79.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.358 0.599 . . . . 1.18 110.612 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.606 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 39.7 ttm180 -68.15 -28.8 67.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 3.84 111.723 -174.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -98.61 -53.37 3.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.373 0.509 . . . . 2.86 112.373 -175.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' A' ' 8' ' ' LEU . 1.8 m-20 -96.17 -41.2 8.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.755 0.65 . . . . 1.87 112.755 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 73.0 mt -87.84 1.93 52.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 1.29 110.512 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.536 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.4 pt20 -52.11 -21.67 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.0 -1.0 . . . . 2.21 111.805 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 2.2 p30 -97.32 -49.64 4.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 2.9 111.343 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' B' ' 86' ' ' LEU . 1.5 m-30 -69.9 -35.56 74.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.457 0.646 . . . . 2.75 110.675 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -108.97 22.75 15.5 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.722 -0.672 . . . . 1.36 109.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 11.0 ptmt -48.8 -42.78 37.01 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.878 0.696 . . . . 2.81 112.878 -174.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -62.52 -36.65 83.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.67 0.748 . . . . 2.0 110.094 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.3 tt0 -75.27 -32.74 61.13 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.701 -1.136 . . . . 2.13 109.975 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 25.3 t-20 -65.77 -16.8 64.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.127 -0.942 . . . . 1.7 111.179 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -81.09 -13.22 58.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 3.82 110.254 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -126.12 145.51 50.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.722 -0.473 . . . . 1.95 109.722 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.5 -33.45 16.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.839 0.352 . . . . 2.46 110.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.0 -29.77 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.804 -0.634 . . . . 3.01 111.672 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 11.7 t -68.97 -41.44 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 1.42 109.631 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.03 -37.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.245 -0.889 . . . . 1.76 110.014 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.17 -35.09 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.026 -0.534 . . . . 1.85 110.823 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -63.28 -49.31 74.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.114 -0.328 . . . . 2.45 110.114 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.536 ' HA ' HD12 ' B' ' 66' ' ' LEU . 53.8 mt -65.81 -34.38 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.536 0.684 . . . . 1.92 110.408 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.564 ' CG ' ' HA ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -52.84 -50.83 62.94 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 113.839 -1.528 . . . . 1.26 110.389 176.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' B' ' 67' ' ' ASP . 34.0 tt0 -112.6 -29.03 7.6 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 115.404 -2.518 . . . . 2.36 110.323 -167.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.74 -39.41 80.84 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.405 -0.518 . . . . 1.93 111.283 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' B' ' 62' ' ' ILE . 10.9 mp -77.28 -15.63 59.35 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.887 0.375 . . . . 1.87 111.227 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' B' ' 64' ' ' GLU . 7.4 t70 -68.53 78.08 0.28 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.272 1.034 . . . . 1.4 109.946 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 61.0 p -68.95 -28.24 66.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.19 -1.368 . . . . 2.54 111.306 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -86.19 -0.8 56.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.672 -0.695 . . . . 2.89 109.668 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.469 ' HA ' ' OD2' ' B' ' 67' ' ' ASP . . . 56.92 41.42 27.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.679 -1.146 . . . . 1.71 113.499 167.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.16 10.98 14.0 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.91 -0.316 . . . . 1.95 110.66 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.542 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.7 OUTLIER 63.9 38.16 9.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.849 0.833 . . . . 2.22 108.909 -176.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.719 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.6 mt-30 -142.79 166.5 24.47 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.06 -1.427 . . . . 2.32 108.552 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.455 HD22 ' O ' ' B' ' 73' ' ' GLN . 50.4 mt -129.7 113.3 14.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.187 0.518 . . . . 1.34 110.498 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.6 t -76.11 170.33 16.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.147 -0.933 . . . . 1.78 109.105 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.742 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 3.9 m-85 -49.63 -44.54 47.47 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.207 0.317 . . . . 3.75 111.148 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' O ' HG21 ' B' ' 80' ' ' ILE . 43.9 mt-10 -67.98 -33.64 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 2.04 111.768 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' B' ' 81' ' ' MET . 32.2 mt-10 -76.34 -47.33 23.88 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.252 0.549 . . . . 3.18 110.367 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.742 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 2.3 p90 -71.4 -26.79 62.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 118.955 -1.098 . . . . 3.91 110.551 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.563 HG21 ' O ' ' B' ' 77' ' ' GLU . 4.2 tp -65.84 -40.12 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.17 -0.612 . . . . 2.62 110.747 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.621 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 24.0 ptp -63.98 -26.07 68.41 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.549 -0.46 . . . . 2.19 110.43 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.613 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.2 tm? -57.87 -43.37 85.97 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.202 -0.666 . . . . 1.99 109.202 171.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.511 ' HE1' ' O ' ' B' ' 79' ' ' PHE . 1.9 mpp? -63.46 -24.87 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 1.59 111.396 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.507 ' HB2' HG22 ' A' ' 80' ' ' ILE . . . -76.58 -38.2 55.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.875 0.369 . . . . 1.15 110.554 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' B' ' 81' ' ' MET . 22.9 mtp-105 -59.52 -42.67 92.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.062 0.934 . . . . 2.07 108.682 175.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' B' ' 48' ' ' PHE . 21.5 tp -72.24 -26.59 62.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.405 -1.27 . . . . 2.16 110.106 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -36.26 83.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.549 -0.296 . . . . 1.2 110.535 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 91.1 t90 -66.48 -37.45 85.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.438 -0.578 . . . . 4.33 109.438 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.96 89.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 1.84 110.775 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.483 ' HB2' HD11 ' A' ' 16' ' ' ILE . 18.4 m -73.77 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.089 -0.505 . . . . 2.13 110.713 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.7 t-80 -67.81 -35.81 79.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.987 -0.745 . . . . 3.9 108.987 172.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 11.6 mm-40 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 114.785 -1.098 . . . . 3.29 110.396 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HB2' ' A' ' 9' ' ' GLU . 2.0 ttt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.902 0.382 . . . . 3.29 110.747 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -87.38 174.86 8.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 1.65 110.073 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.66 -46.58 86.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.51 110.862 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' B' ' 15' ' ' ILE . 3.9 mm? -64.73 -45.53 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 2.42 110.666 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 71.5 mt-10 -61.61 -46.58 89.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.316 -0.402 . . . . 2.29 111.141 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -59.4 -37.94 79.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 4.15 110.797 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.71 -45.25 83.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.336 . . . . 2.22 110.357 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -60.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 1.05 110.682 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.63 -36.89 84.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.698 -0.228 . . . . 1.95 110.546 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.8 m -64.61 -37.02 86.14 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.156 0.503 . . . . 0.96 110.545 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.596 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 44.0 mt -70.13 -44.55 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 1.12 109.883 175.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 85.2 mt -57.77 -40.07 73.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.518 -0.765 . . . . 1.16 110.627 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 12.6 m120 -67.29 -45.96 75.03 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.855 0.317 . . . . 2.45 111.855 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.3 m -63.73 -47.75 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.506 0.67 . . . . 1.42 109.848 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CD2' HD13 ' A' ' 32' ' ' LEU . 2.0 m-85 -64.07 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 4.47 109.415 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 7.1 t60 -58.65 -50.73 72.79 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.394 0.678 . . . . 3.54 111.392 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 18' ' ' THR . 27.4 pt20 -62.35 -34.45 76.67 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.606 -0.438 . . . . 1.64 111.285 -176.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -80.21 -31.05 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.279 -0.569 . . . . 2.26 111.724 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.724 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 24.3 p -78.91 -33.13 45.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.379 0.609 . . . . 1.35 110.663 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.499 ' CA ' ' HB3' ' A' ' 29' ' ' PRO . 4.3 p -72.01 -4.4 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.485 -0.779 . . . . 1.26 111.029 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.1 mtpm? -64.86 -28.61 69.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.851 -0.613 . . . . 2.74 109.853 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.43 12.51 20.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.025 -0.534 . . . . 2.65 111.811 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.63 -129.05 9.72 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.772 -0.728 . . . . 1.43 111.683 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -59.36 112.04 4.62 Favored Pre-proline 0 CA--C 1.516 -0.358 0 N-CA-C 106.447 -1.686 . . . . 4.53 106.447 168.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 23' ' ' SER . 57.0 Cg_endo -75.42 37.96 0.53 Allowed 'Trans proline' 0 C--O 1.222 -0.277 0 N-CA-C 116.077 1.529 . . . . 3.25 116.077 -149.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.13 6.21 2.31 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 123.118 2.69 . . . . 2.56 114.54 -150.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.633 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -156.27 157.45 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.075 0.55 . . . . 1.92 111.697 -175.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HE3' ' A' ' 63' ' ' MET . 87.9 mt -100.52 120.89 40.69 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 1.23 108.362 161.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 4.0 m-20 -81.77 169.86 16.41 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.86 -0.736 . . . . 2.75 109.964 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -52.09 -39.71 60.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.063 0.394 . . . . 2.11 112.063 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.7 -39.0 49.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.46 111.715 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 7.4 mp0 -65.0 -42.06 94.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.353 -0.423 . . . . 2.0 110.464 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.56 -47.23 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.949 -0.569 . . . . 2.37 110.905 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 97.4 mttt -55.15 -48.43 73.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.95 110.452 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' HG2' ' CE ' ' A' ' 43' ' ' LYS . 29.1 tt0 -64.33 -41.58 96.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 1.74 110.673 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.91 -53.62 56.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 2.07 110.015 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 92.0 t -58.19 -38.47 68.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 120.865 0.364 . . . . 1.18 111.212 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 95.3 mtt180 -67.83 -29.65 68.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.924 0.713 . . . . 3.84 112.924 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.6 mtmp? -110.74 -36.09 5.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.522 0.564 . . . . 2.86 112.522 -174.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 9.0 m-20 -105.45 -31.52 8.97 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.967 -0.293 . . . . 1.88 111.541 -170.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 86.5 mt -101.36 5.53 42.26 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.758 0.423 . . . . 1.29 110.912 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 28.6 pt20 -51.04 -22.11 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 2.21 112.747 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.662 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 35.1 m-80 -97.55 -48.65 5.18 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.454 -0.573 . . . . 2.9 109.454 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -36.42 83.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.734 0.778 . . . . 2.75 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -112.21 22.66 14.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.332 -0.849 . . . . 1.36 110.892 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.662 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -43.0 22.5 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.208 0.317 . . . . 2.82 111.538 -175.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 1.6 mppt? -61.05 -47.48 86.2 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 122.567 1.175 . . . . 2.0 109.562 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 112.656 -2.065 . . . . 2.13 110.994 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.482 ' OD1' ' HG2' ' A' ' 42' ' ' ARG . 46.1 t30 -69.33 -17.02 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.371 0.605 . . . . 1.7 110.932 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -81.87 -5.11 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 3.82 110.085 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' OD1' ' HD3' ' A' ' 57' ' ' LYS . 35.7 t30 -127.61 147.1 50.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 1.95 109.794 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.5 mt-10 -86.83 -44.49 11.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 2.46 111.658 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' HD3' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -64.62 -29.27 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.697 -0.683 . . . . 3.01 111.882 -170.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.7 m -69.47 -39.72 78.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 1.43 111.132 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.25 -37.42 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.462 -0.57 . . . . 1.76 109.462 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt-10 -65.84 -35.18 79.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.519 -0.764 . . . . 1.86 110.509 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.87 -48.45 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 2.45 110.09 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' VAL . 47.4 mm -58.55 -36.86 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.739 0.78 . . . . 1.92 109.953 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 14.1 tpt -62.08 -50.35 72.3 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-N 113.688 -1.596 . . . . 1.27 111.387 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 30.6 tt0 -102.45 -28.0 12.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 114.238 -2.985 . . . . 2.37 108.806 -161.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.17 -38.86 71.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.352 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.0 -22.87 36.3 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.101 0.408 . . . . 1.87 112.101 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' OD2' ' HE3' ' A' ' 72' ' ' LYS . 17.3 t0 -66.5 78.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.621 0.724 . . . . 1.39 110.795 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.8 -21.38 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.156 -0.929 . . . . 2.54 110.157 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.64 -4.8 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 2.89 109.438 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.81 25.3 3.78 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.602 -1.181 . . . . 1.71 113.756 168.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -119.95 20.59 12.13 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.75 0.31 . . . . 1.95 111.203 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HE3' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 64.04 39.68 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.531 -0.759 . . . . 2.22 109.399 -177.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 25.8 mt-30 -138.5 141.32 39.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.569 -1.196 . . . . 2.32 109.493 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 54.7 mt -115.08 114.25 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.713 -0.477 . . . . 1.34 109.713 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.5 t -76.14 171.15 14.97 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.73 -0.841 . . . . 1.78 108.73 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.703 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 9.1 p90 -50.46 -39.26 47.37 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.318 0.488 . . . . 3.75 112.318 -174.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 80' ' ' ILE . 53.0 mt-10 -75.05 -32.52 61.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.067 0.395 . . . . 2.03 112.067 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.28 -45.98 52.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.08 -0.387 . . . . 3.18 110.805 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 1.8 p90 -72.97 -26.34 61.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.769 -0.772 . . . . 3.91 110.927 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 3.0 tp -69.84 -37.81 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.52 -0.472 . . . . 2.63 109.871 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.52 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.5 ttt -57.32 -30.31 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 2.19 110.271 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.4 tm? -65.69 -40.04 91.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.779 -0.452 . . . . 1.99 109.779 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.31 -30.59 68.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.218 0.532 . . . . 1.59 109.647 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB2' ' CG2' ' B' ' 80' ' ' ILE . . . -73.35 -38.02 65.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.816 -0.629 . . . . 1.16 110.639 177.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -62.93 -32.91 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.402 0.62 . . . . 2.07 109.338 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 40.6 mt -70.86 -33.64 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 2.16 109.951 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.7 m -65.92 -41.05 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.358 0.599 . . . . 1.2 110.079 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.618 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.5 t-105 -65.44 -35.95 82.44 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.52 -0.764 . . . . 4.33 109.448 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.53 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 1.84 110.814 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.3 t -69.09 -36.62 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.047 0.451 . . . . 2.14 109.803 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -62.81 -36.16 82.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 3.9 110.063 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.1 mm-40 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.464 -0.789 . . . . 3.3 111.286 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' B' ' 9' ' ' GLU . 2.0 ttt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.876 0.369 . . . . 3.29 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -86.95 174.73 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 1.66 110.117 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.43 -46.49 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 2.52 110.909 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 3.9 mm? -64.81 -45.61 85.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.591 . . . . 2.42 110.645 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 71.8 mt-10 -61.46 -46.58 89.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.269 -0.423 . . . . 2.28 111.083 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -59.55 -37.83 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 4.16 110.802 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.79 -45.32 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 2.21 110.347 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 79.2 mt -60.52 -47.93 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 1.06 110.757 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.49 -36.9 83.96 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.721 -0.218 . . . . 1.95 110.644 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -36.9 85.81 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.479 . . . . 0.96 110.584 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.579 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 44.1 mt -69.98 -44.59 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 1.13 109.938 174.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 85.6 mt -57.69 -40.37 75.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 115.468 -0.787 . . . . 1.16 110.593 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 12.4 m120 -66.94 -46.08 75.84 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.832 0.308 . . . . 2.45 111.832 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 31.5 m -63.59 -48.0 79.16 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.513 0.673 . . . . 1.41 109.9 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.417 ' CD2' HD13 ' B' ' 32' ' ' LEU . 2.0 m-85 -64.0 -33.88 76.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.482 -0.781 . . . . 4.47 109.502 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' B' ' 17' ' ' ASN . 7.0 t60 -58.85 -50.83 72.53 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.402 0.681 . . . . 3.55 111.305 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' B' ' 18' ' ' THR . 27.5 pt20 -62.2 -34.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.645 -0.422 . . . . 1.64 111.343 -176.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -80.19 -30.94 38.79 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.32 -0.552 . . . . 2.25 111.761 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.721 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.9 p -78.91 -33.49 45.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.365 0.603 . . . . 1.35 110.635 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.495 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 4.3 p -71.54 -4.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.525 -0.761 . . . . 1.26 111.169 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.503 ' HB3' ' HZ1' ' B' ' 25' ' ' LYS . 9.1 mtpm? -64.59 -29.04 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.895 -0.593 . . . . 2.74 109.847 176.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.405 HD22 ' N ' ' B' ' 26' ' ' LEU . 2.9 mm? -90.94 12.39 19.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 2.65 111.779 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 -129.12 9.74 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.69 -0.767 . . . . 1.43 111.743 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -59.33 112.38 5.09 Favored Pre-proline 0 CA--C 1.517 -0.317 0 N-CA-C 106.42 -1.696 . . . . 4.53 106.42 168.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.721 ' O ' ' HB2' ' B' ' 23' ' ' SER . 55.8 Cg_endo -75.65 38.24 0.56 Allowed 'Trans proline' 0 C--O 1.223 -0.267 0 N-CA-C 116.21 1.581 . . . . 3.25 116.21 -150.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.35 6.02 2.55 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 123.135 2.698 . . . . 2.56 114.504 -149.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.632 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -156.22 157.21 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.137 0.575 . . . . 1.92 111.777 -175.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' B' ' 19' ' ' PHE . 86.3 mt -100.1 120.92 40.6 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.5 -0.926 . . . . 1.23 108.5 161.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 3.8 m-20 -81.79 169.54 16.78 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.895 -0.722 . . . . 2.74 109.961 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.65 -40.17 59.48 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.985 0.365 . . . . 2.11 111.985 -171.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.29 -38.85 53.12 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.737 -0.744 . . . . 0.46 111.808 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.447 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 7.6 mp0 -65.39 -42.07 93.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.368 -0.416 . . . . 2.01 110.408 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 2.37 110.967 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 97.3 mttt -55.02 -48.76 72.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.299 -0.41 . . . . 1.95 110.428 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' CE ' ' B' ' 43' ' ' LYS . 28.7 tt0 -63.99 -41.62 97.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 1.75 110.765 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.93 -53.69 55.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.902 -0.407 . . . . 2.07 109.902 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.568 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.2 t -58.2 -38.38 67.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 120.903 0.382 . . . . 1.18 111.172 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 95.5 mtt180 -67.9 -29.63 68.77 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.954 0.724 . . . . 3.84 112.954 -173.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.501 ' CE ' ' HG2' ' B' ' 39' ' ' GLU . 5.6 mtmp? -110.61 -36.09 5.83 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.349 0.499 . . . . 2.86 112.349 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 8.6 m-20 -105.48 -31.33 9.04 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.932 -0.307 . . . . 1.87 111.522 -170.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 86.6 mt -101.5 5.52 41.92 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.363 0.414 . . . . 1.29 110.794 173.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 28.5 pt20 -50.93 -22.18 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.371 -0.832 . . . . 2.21 112.767 -174.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.68 ' O ' ' HD2' ' B' ' 50' ' ' LYS . 35.0 m-80 -97.58 -48.75 5.13 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.394 -0.595 . . . . 2.9 109.394 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -36.32 82.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.788 0.804 . . . . 2.75 109.74 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -112.31 22.68 14.46 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.36 -0.837 . . . . 1.36 110.817 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.68 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -42.97 22.46 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.233 0.333 . . . . 2.81 111.51 -175.676 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.585 ' N ' ' HG2' ' B' ' 50' ' ' LYS . 1.6 mppt? -61.2 -47.24 87.03 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.669 1.223 . . . . 2.0 109.62 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.6 -31.88 63.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 112.658 -2.065 . . . . 2.13 110.939 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.481 ' OD1' ' HG2' ' B' ' 42' ' ' ARG . 45.4 t30 -69.16 -17.06 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 1.7 110.864 -173.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -81.85 -5.0 57.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.041 -0.527 . . . . 3.82 110.156 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -127.85 147.27 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.641 -0.503 . . . . 1.95 109.641 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 38.5 mt-10 -87.11 -44.39 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 2.46 111.588 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -29.25 70.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.697 -0.683 . . . . 3.01 111.8 -170.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 62' ' ' ILE . 1.6 m -69.52 -39.84 78.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.145 -0.479 . . . . 1.42 111.056 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.406 HG21 ' HA ' ' B' ' 38' ' ' LYS . 30.7 mm -64.15 -37.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.395 -0.595 . . . . 1.76 109.395 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 27.5 mt-10 -65.86 -35.28 80.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.548 -0.751 . . . . 1.85 110.597 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.74 -48.42 71.96 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.353 -0.385 . . . . 2.45 110.053 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 58' ' ' VAL . 47.3 mm -58.57 -36.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.657 0.741 . . . . 1.92 109.958 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.488 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 14.1 tpt -62.35 -49.98 73.42 Favored 'General case' 0 N--CA 1.42 -1.943 0 CA-C-N 113.641 -1.618 . . . . 1.26 111.379 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 30.3 tt0 -102.81 -27.88 12.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 114.342 -2.943 . . . . 2.36 108.816 -161.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.09 -39.32 71.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.331 -0.395 . . . . 1.93 110.342 169.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -81.74 -22.72 37.12 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.094 0.405 . . . . 1.87 112.094 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.5 ' OD2' ' HE3' ' B' ' 72' ' ' LYS . 16.9 t0 -66.76 78.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.713 0.768 . . . . 1.4 110.804 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.17 -21.65 64.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.161 -0.927 . . . . 2.54 110.09 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -86.61 -4.64 59.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 2.89 109.336 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.68 25.51 3.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.723 -1.126 . . . . 1.71 113.792 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.01 20.08 12.2 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.748 0.309 . . . . 1.95 111.131 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.5 ' HE3' ' OD2' ' B' ' 67' ' ' ASP . 0.0 OUTLIER 64.63 39.29 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.566 -0.743 . . . . 2.22 109.482 -177.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.632 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.0 mt-30 -138.37 141.38 39.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.632 -1.167 . . . . 2.32 109.359 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.488 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 54.8 mt -115.13 114.18 24.96 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.643 -0.503 . . . . 1.34 109.643 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -76.48 171.32 14.8 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.717 -0.845 . . . . 1.78 108.717 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.7 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 9.4 p90 -50.46 -39.37 47.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.338 0.495 . . . . 3.75 112.338 -174.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 80' ' ' ILE . 55.3 mt-10 -75.04 -32.63 61.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.033 0.382 . . . . 2.04 112.033 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.17 -45.74 54.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.82 -0.352 . . . . 3.18 110.871 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.7 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 1.7 p90 -73.11 -26.27 61.18 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 119.663 -0.815 . . . . 3.91 110.823 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.52 ' HB ' ' O ' ' B' ' 76' ' ' PHE . 3.0 tp -69.9 -37.83 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.469 -0.492 . . . . 2.62 109.802 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.517 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 21.7 ttt -57.31 -30.34 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 2.19 110.255 172.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.4 tm? -65.57 -40.05 92.33 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.771 -0.455 . . . . 1.99 109.771 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.35 -30.69 68.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.579 -0.526 . . . . 1.59 109.579 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . . . -73.35 -37.9 65.93 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.86 -0.609 . . . . 1.15 110.64 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.8 mtp180 -63.08 -32.57 73.97 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.357 -0.608 . . . . 2.07 109.357 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 41.4 mt -71.09 -33.77 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.771 . . . . 2.16 109.908 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 55.2 m -65.82 -40.92 92.28 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.328 0.585 . . . . 1.2 110.145 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.627 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.5 t-105 -65.41 -35.91 82.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.517 -0.765 . . . . 4.33 109.374 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.51 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 1.84 110.679 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 33.4 t -69.15 -36.49 77.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 2.13 109.893 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.8 -35.87 81.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 3.9 110.109 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 12.0 mm-40 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.444 -0.798 . . . . 3.29 111.308 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.524 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 32.3 mtt . . . . . 0 C--O 1.235 0.317 0 N-CA-C 112.987 0.736 . . . . 3.29 112.987 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -75.54 176.21 7.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.367 -1.288 . . . . 1.65 109.411 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.76 -45.38 82.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 2.51 110.216 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 tp -62.56 -46.04 90.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.54 -0.755 . . . . 2.42 110.992 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 84.7 mt-10 -64.81 -49.7 69.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.191 -0.459 . . . . 2.29 111.975 -174.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 10' ' ' ARG . 56.2 mtt180 -60.99 -34.44 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.986 0.422 . . . . 4.15 110.365 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -68.96 -41.29 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 2.22 110.739 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 8' ' ' LEU . 64.6 mt -62.48 -47.18 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.734 -0.469 . . . . 1.05 109.734 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -58.43 -40.46 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.595 -0.729 . . . . 1.95 110.177 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -68.6 -39.54 80.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.433 -0.349 . . . . 0.96 111.222 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.41 HG21 HD13 ' B' ' 8' ' ' LEU . 43.4 mt -62.49 -44.04 98.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.286 0.565 . . . . 1.12 109.938 174.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.71 -38.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 1.16 110.044 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.15 -41.11 86.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.606 -0.724 . . . . 2.45 110.451 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' ' HD2' ' A' ' 22' ' ' TYR . 43.4 m -62.3 -50.26 72.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.118 0.485 . . . . 1.42 110.148 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.62 -47.32 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 4.47 109.282 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.15 -46.35 82.81 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.837 -1.074 . . . . 3.54 112.368 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -66.49 -35.63 80.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.68 -0.408 . . . . 1.64 111.229 -175.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 90.0 m-85 -78.52 -32.82 48.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.446 -0.502 . . . . 2.26 110.67 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.669 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 25.5 p -78.89 -35.66 43.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.379 0.609 . . . . 1.35 111.013 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.564 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 4.8 p -71.49 -5.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.51 -0.768 . . . . 1.26 111.072 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HZ1' ' HA ' ' A' ' 22' ' ' TYR . 49.8 mttp -62.5 -23.01 66.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.511 -0.768 . . . . 2.74 109.753 172.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.68 -5.6 41.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.969 -0.56 . . . . 2.65 112.222 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.89 -123.76 6.01 Favored Glycine 0 N--CA 1.463 0.439 0 C-N-CA 120.953 -0.641 . . . . 1.43 111.609 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -63.35 105.15 0.6 Allowed Pre-proline 0 CA--C 1.516 -0.341 0 N-CA-C 106.438 -1.69 . . . . 4.53 106.438 167.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.669 ' O ' ' HB2' ' A' ' 23' ' ' SER . 36.8 Cg_endo -76.83 48.24 2.4 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 N-CA-C 115.681 1.377 . . . . 3.25 115.681 -149.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.66 -7.02 45.33 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 123.487 2.858 . . . . 2.56 112.212 -149.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.589 ' CB ' ' HB3' ' A' ' 73' ' ' GLN . 59.8 p -154.13 161.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.636 0.774 . . . . 1.92 110.419 -168.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 60.5 mt -99.59 121.48 41.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.947 -0.76 . . . . 1.23 108.947 163.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.548 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . 12.1 t-20 -79.69 163.99 24.09 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.058 -1.057 . . . . 2.75 109.168 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.428 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 24.3 tt0 -51.53 -37.83 51.25 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.1 0.407 . . . . 2.11 112.1 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.23 43.78 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.68 -0.772 . . . . 0.46 111.466 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 33' ' ' ASN . 3.9 mp0 -63.02 -44.41 96.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.503 . . . . 2.0 110.408 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.49 -44.11 83.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.034 -0.53 . . . . 2.37 111.496 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -54.21 -48.25 71.25 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.359 -0.608 . . . . 1.95 109.359 178.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' OE2' ' HD2' ' A' ' 42' ' ' ARG . 1.5 tp10 -62.76 -42.9 99.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.902 -1.045 . . . . 1.74 110.71 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 2.07 109.773 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.563 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 90.6 t -69.99 -37.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.049 -0.523 . . . . 1.18 111.111 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 91.5 mtt180 -61.92 -31.3 71.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.859 0.318 . . . . 3.84 111.859 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -118.51 -30.89 5.06 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.205 0.817 . . . . 2.86 113.205 -170.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 5.0 m-20 -105.98 -33.55 7.88 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.125 -0.63 . . . . 1.88 112.352 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 95.2 mt -101.6 5.02 41.45 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.996 0.426 . . . . 1.29 111.303 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.472 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 4.0 pt20 -51.6 -23.36 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.347 -0.842 . . . . 2.21 113.072 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.477 ' HB3' ' OE2' ' B' ' 9' ' ' GLU . 51.0 t30 -106.77 -39.02 5.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.277 0.561 . . . . 2.9 110.39 -173.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.43 ' HB2' ' HG2' ' B' ' 9' ' ' GLU . 0.1 OUTLIER -73.79 -35.71 64.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.62 0.724 . . . . 2.75 109.476 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.57 22.17 15.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.045 -0.98 . . . . 1.36 110.479 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 10.7 ptpp? -48.49 -39.69 23.96 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.246 0.341 . . . . 2.82 111.675 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 1.3 mtmp? -58.53 -42.9 88.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 2.0 110.78 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.419 -0.81 . . . . 2.13 110.333 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.463 HD22 ' HA ' ' A' ' 42' ' ' ARG . 27.4 t-20 -63.85 -16.65 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.7 111.307 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.3 mtpp -81.92 -6.38 59.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.536 . . . . 3.82 110.729 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.39 143.28 37.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.093 -0.706 . . . . 1.95 109.093 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.47 -29.33 15.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.06 0.457 . . . . 2.46 110.621 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.11 -26.61 65.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.802 -0.635 . . . . 3.01 110.529 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.73 -36.94 60.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.461 -0.57 . . . . 1.43 109.461 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' A' ' 63' ' ' MET . 29.8 mm -64.75 -37.43 80.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.804 -0.634 . . . . 1.76 109.429 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.77 -35.11 80.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.86 111.054 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 22.2 m-70 -65.62 -49.29 69.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.973 -0.291 . . . . 2.45 111.12 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.65 -39.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.818 0.818 . . . . 1.92 109.087 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.576 ' HE1' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.81 -48.94 79.52 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 113.328 -1.76 . . . . 1.27 111.858 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 39.8 mt-10 -111.32 -29.58 7.76 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 115.371 -2.532 . . . . 2.37 110.973 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 62.7 m-20 -57.44 -33.16 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.987 -0.685 . . . . 1.93 109.711 170.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HB3' ' CG ' ' A' ' 78' ' ' GLU . 55.5 mt -95.16 -13.26 25.18 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 112.771 0.656 . . . . 1.87 112.771 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.538 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 t0 -59.5 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.544 1.164 . . . . 1.39 110.038 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.7 -24.35 64.48 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.164 -1.835 . . . . 2.54 111.451 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -88.07 -5.08 58.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.023 -0.732 . . . . 2.89 109.023 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.44 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.761 -1.109 . . . . 1.71 112.688 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 33.8 m-20 -116.48 16.89 15.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.53 -0.304 . . . . 1.95 111.326 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.561 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.46 40.25 4.75 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.291 -1.003 . . . . 2.22 108.291 -173.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.589 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 99.0 mt-30 -142.75 138.31 30.39 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.385 -1.28 . . . . 2.32 110.129 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.686 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 14.3 mt -101.41 116.22 32.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.488 -0.323 . . . . 1.34 110.651 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 p -79.0 160.76 27.04 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.649 -0.5 . . . . 1.78 109.649 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -50.74 -36.22 35.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.701 0.286 . . . . 3.75 111.267 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.13 -30.81 63.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.889 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.686 ' OE1' ' HB3' ' A' ' 74' ' ' LEU . 8.5 tm-20 -74.39 -50.76 17.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.176 -0.609 . . . . 3.18 109.844 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 83' ' ' MET . 88.2 t80 -57.63 -38.45 75.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.325 0.583 . . . . 3.91 110.337 -174.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.575 ' CG2' ' HB1' ' B' ' 84' ' ' ALA . 1.7 tp -68.19 -45.13 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 115.534 -0.757 . . . . 2.63 109.989 178.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -36.22 73.82 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.515 0.326 . . . . 2.19 110.712 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.84 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.971 -0.752 . . . . 1.99 108.971 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 30.7 mmt -59.82 -30.93 69.26 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.701 -0.681 . . . . 1.59 110.3 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HB1' ' CG2' ' B' ' 80' ' ' ILE . . . -73.91 -44.53 54.84 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.87 0.367 . . . . 1.16 110.714 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.05 -37.48 77.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.934 -0.765 . . . . 2.07 108.934 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.3 -31.78 64.24 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.747 -1.115 . . . . 2.16 110.475 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.6 m -63.97 -48.16 77.55 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.526 -0.47 . . . . 1.2 111.043 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -83.33 -37.52 23.28 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.993 -0.683 . . . . 4.33 110.312 -174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.45 -51.13 55.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.499 . . . . 1.84 111.073 -174.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -80.01 -44.35 20.33 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 120.005 -0.678 . . . . 2.14 111.539 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.02 -43.01 22.7 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.038 -0.528 . . . . 3.9 110.131 -166.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.436 -1.128 0 C-N-CA 119.848 -0.741 . . . . 3.3 112.477 -176.483 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.528 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 31.7 mtt . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.676 0.75 . . . . 3.29 113.01 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -75.46 176.13 7.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.51 -1.223 . . . . 1.66 109.46 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.79 -45.25 82.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.418 . . . . 2.52 110.13 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.57 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.2 tp -62.57 -46.18 89.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 2.42 110.935 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 84.2 mt-10 -64.65 -49.72 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 2.28 111.987 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -61.14 -34.39 74.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 4.16 110.218 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -68.91 -41.3 78.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 2.21 110.66 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 65.3 mt -62.54 -47.2 94.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.729 -0.471 . . . . 1.06 109.729 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -58.45 -40.54 82.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.598 -0.728 . . . . 1.95 110.054 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.5 m -68.54 -39.36 81.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.461 -0.336 . . . . 0.96 111.332 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 8' ' ' LEU . 43.7 mt -62.76 -43.73 98.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 121.261 0.553 . . . . 1.13 109.968 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.84 -38.03 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.12 -0.945 . . . . 1.16 109.999 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -67.31 -41.07 85.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.525 -0.761 . . . . 2.45 110.388 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.7 m -62.15 -50.33 72.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.191 0.519 . . . . 1.41 110.179 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.81 -47.18 71.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.775 -0.648 . . . . 4.47 109.284 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -57.22 -46.39 82.98 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 114.852 -1.067 . . . . 3.55 112.38 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -66.54 -35.53 80.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.094 0.406 . . . . 1.64 111.21 -175.286 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.568 ' N ' ' HG3' ' B' ' 21' ' ' GLN . 90.3 m-85 -78.6 -32.74 47.69 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.525 -0.47 . . . . 2.25 110.747 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.664 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.7 p -78.95 -35.72 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.352 0.596 . . . . 1.35 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 4.9 p -71.63 -5.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.73 . . . . 1.26 110.924 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.421 ' HZ1' ' HA ' ' B' ' 22' ' ' TYR . 50.5 mttp -62.93 -22.85 67.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.742 . . . . 2.74 109.719 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.86 -5.14 42.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.884 -0.598 . . . . 2.65 112.227 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.95 -124.48 6.37 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 120.97 -0.633 . . . . 1.43 111.552 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -62.34 105.24 0.59 Allowed Pre-proline 0 N--CA 1.465 0.3 0 N-CA-C 106.462 -1.681 . . . . 4.53 106.462 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.664 ' O ' ' HB2' ' B' ' 23' ' ' SER . 35.5 Cg_endo -77.02 48.32 2.47 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 N-CA-C 115.699 1.384 . . . . 3.25 115.699 -149.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.82 -6.94 45.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 123.473 2.851 . . . . 2.56 112.2 -149.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.584 ' CB ' ' HB3' ' B' ' 73' ' ' GLN . 67.2 p -154.04 162.12 41.43 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.639 0.776 . . . . 1.92 110.54 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' B' ' 74' ' ' LEU . 59.7 mt -99.75 121.42 41.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.959 -0.756 . . . . 1.23 108.959 163.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.558 ' HB3' ' OE2' ' B' ' 36' ' ' GLU . 11.8 t-20 -79.73 163.91 24.12 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.022 -1.071 . . . . 2.74 109.126 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' HG3' ' B' ' 63' ' ' MET . 24.0 tt0 -51.41 -37.69 49.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.987 0.366 . . . . 2.11 111.987 -172.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.09 -42.65 43.12 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.76 -0.733 . . . . 0.46 111.539 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.558 ' OE2' ' HB3' ' B' ' 33' ' ' ASN . 3.4 mp0 -62.82 -44.5 95.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.15 -0.525 . . . . 2.01 110.292 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -66.48 -44.16 83.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 2.37 111.497 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -54.11 -48.2 71.01 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.361 -0.607 . . . . 1.95 109.361 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' OE2' ' HD2' ' B' ' 42' ' ' ARG . 1.4 tp10 -62.92 -42.67 99.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.872 -1.058 . . . . 1.75 110.815 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.74 -46.9 77.71 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.072 -0.513 . . . . 2.07 109.706 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.6 t -70.01 -37.38 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.063 -0.517 . . . . 1.18 111.139 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' B' ' 38' ' ' LYS . 91.6 mtt180 -62.01 -31.22 71.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.587 -0.278 . . . . 3.84 111.737 -174.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -118.48 -31.08 5.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.199 0.815 . . . . 2.86 113.199 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 5.5 m-20 -105.74 -33.65 7.95 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.161 -0.615 . . . . 1.87 112.345 -175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.552 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 95.3 mt -101.52 5.0 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.103 0.478 . . . . 1.29 111.399 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 4.0 pt20 -51.56 -23.19 3.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.261 -0.881 . . . . 2.21 113.087 -174.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.485 ' HB3' ' OE2' ' A' ' 9' ' ' GLU . 51.2 t30 -106.97 -39.11 5.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.193 0.521 . . . . 2.9 110.414 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.435 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -73.69 -35.71 65.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.565 0.698 . . . . 2.75 109.565 179.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.8 mt -110.61 22.26 15.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.041 -0.981 . . . . 1.36 110.608 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 10.7 ptpp? -48.54 -39.8 24.72 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.128 0.268 . . . . 2.81 111.666 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' B' ' 51' ' ' LYS . 1.3 mtmp? -58.22 -43.23 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.298 0.57 . . . . 2.0 110.779 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.54 -33.17 64.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.495 -0.775 . . . . 2.13 110.334 175.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.467 HD22 ' HA ' ' B' ' 42' ' ' ARG . 27.2 t-20 -63.67 -16.69 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.296 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.3 mtpp -81.94 -6.25 58.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.025 -0.534 . . . . 3.82 110.822 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -139.52 143.31 37.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.075 -0.713 . . . . 1.95 109.075 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.49 -29.16 15.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 2.46 110.553 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.2 -26.74 65.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 3.01 110.579 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.64 -37.1 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.408 -0.589 . . . . 1.42 109.408 174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' B' ' 63' ' ' MET . 29.3 mm -64.49 -37.68 80.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.76 109.533 175.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.62 -34.88 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.847 -0.615 . . . . 1.85 111.065 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 22.4 m-70 -65.83 -49.39 68.39 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.984 -0.286 . . . . 2.45 111.159 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 78.3 mt -58.56 -39.19 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.794 0.807 . . . . 1.92 109.127 174.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.568 ' HE1' ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.66 -48.87 79.87 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 113.324 -1.762 . . . . 1.26 111.828 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.544 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 40.2 mt-10 -111.56 -29.65 7.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 115.41 -2.516 . . . . 2.36 111.02 -167.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 58.9 m-20 -57.11 -33.59 67.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.978 -0.689 . . . . 1.93 109.521 170.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.629 ' HB3' ' CG ' ' B' ' 78' ' ' GLU . 55.4 mt -94.95 -13.3 25.47 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.875 0.694 . . . . 1.87 112.875 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.544 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.0 t0 -59.41 87.55 0.01 OUTLIER 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.507 1.146 . . . . 1.4 110.009 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.94 -24.17 64.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 113.158 -1.837 . . . . 2.54 111.324 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -88.04 -5.25 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.143 -0.688 . . . . 2.89 109.143 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.26 26.58 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.602 -1.181 . . . . 1.71 112.653 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 35.6 m-20 -116.55 17.16 15.45 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.496 -0.32 . . . . 1.95 111.347 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.18 40.32 5.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.288 -1.005 . . . . 2.22 108.288 -174.076 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.584 ' HB3' ' CB ' ' B' ' 31' ' ' THR . 99.0 mt-30 -142.85 138.39 30.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.291 -1.322 . . . . 2.32 110.089 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.709 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 14.3 mt -101.57 116.05 31.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.332 -0.394 . . . . 1.34 110.594 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -78.93 160.82 27.08 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 109.679 -0.489 . . . . 1.78 109.679 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -50.67 -36.34 35.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.694 0.283 . . . . 3.75 111.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.34 -30.35 63.27 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.535 -0.302 . . . . 2.04 110.944 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.709 ' OE1' ' HB3' ' B' ' 74' ' ' LEU . 8.5 tm-20 -74.59 -50.82 16.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.171 -0.612 . . . . 3.18 109.838 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 83' ' ' MET . 88.3 t80 -57.64 -38.66 75.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.874 -0.603 . . . . 3.91 110.308 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.569 ' CG2' ' HB1' ' A' ' 84' ' ' ALA . 1.7 tp -68.1 -45.15 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.613 -0.721 . . . . 2.62 109.949 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -36.25 73.58 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.921 0.391 . . . . 2.19 110.767 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.87 -38.18 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.763 . . . . 1.99 108.941 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 30.7 mmt -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.736 -0.666 . . . . 1.59 110.288 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.575 ' HB1' ' CG2' ' A' ' 80' ' ' ILE . . . -73.92 -44.64 54.45 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.868 0.366 . . . . 1.15 110.722 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.03 -37.39 76.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.92 -0.77 . . . . 2.07 108.92 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.33 -31.89 64.26 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.728 -1.124 . . . . 2.16 110.526 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.3 m -64.03 -48.05 77.83 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.518 -0.473 . . . . 1.2 110.962 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -83.35 -37.53 23.23 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 4.33 110.363 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -51.09 56.79 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 120.439 -0.505 . . . . 1.84 111.15 -174.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 93.7 p -80.15 -44.23 20.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.008 -0.677 . . . . 2.13 111.644 -174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.03 -42.99 22.69 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.978 -0.555 . . . . 3.9 110.229 -166.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 N--CA 1.437 -1.098 0 C-N-CA 119.858 -0.737 . . . . 3.29 112.434 -176.541 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.786 0.662 . . . . 3.29 112.786 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.517 ' HB3' ' OD2' ' B' ' 44' ' ' ASP . 18.9 t -87.01 179.51 6.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.266 -0.879 . . . . 1.65 110.57 -177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.33 -48.04 80.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.525 0.565 . . . . 2.51 112.525 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.685 ' O ' HG13 ' A' ' 12' ' ' ILE . 13.4 tp -67.38 -44.0 80.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.908 -0.775 . . . . 2.42 108.908 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.65 ' CD ' ' HB2' ' B' ' 48' ' ' PHE . 3.9 tp10 -55.96 -50.73 69.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.624 -1.171 . . . . 2.29 111.668 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 6' ' ' SER . 88.9 mtt180 -60.29 -37.72 81.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.824 -0.625 . . . . 4.15 109.983 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.542 ' ND2' ' HB ' ' B' ' 14' ' ' THR . 4.7 m-20 -69.1 -37.46 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.827 . . . . 2.22 111.1 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.685 HG13 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -62.12 -47.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 110.061 -0.348 . . . . 1.05 110.061 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -41.94 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 1.95 111.112 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.542 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 85.1 m -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.366 0.603 . . . . 0.96 110.164 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 11' ' ' ASN . 4.1 mt -64.57 -49.3 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 1.12 110.762 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.598 HD11 ' OG ' ' B' ' 90' ' ' SER . 93.3 mt -62.35 -39.64 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 1.16 110.697 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.695 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.2 m-80 -59.72 -40.62 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.392 -0.367 . . . . 2.45 110.589 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.693 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 73.1 m -63.43 -49.64 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.341 -0.391 . . . . 1.42 110.588 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CE2' ' HE1' ' A' ' 79' ' ' PHE . 10.5 m-30 -58.99 -52.54 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.877 0.37 . . . . 4.47 110.686 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.717 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 1.2 p-80 -71.07 -20.92 62.31 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 112.768 0.655 . . . . 3.54 112.768 -174.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.693 ' HG2' ' O ' ' A' ' 18' ' ' THR . 25.1 pt20 -73.54 -32.31 64.13 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.678 0.672 . . . . 1.64 110.225 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.458 ' HD1' ' O ' ' A' ' 18' ' ' THR . 79.6 m-85 -78.82 -33.73 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 2.26 110.594 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.717 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 57.5 p -79.62 -30.09 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.023 0.439 . . . . 1.35 111.032 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.604 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 6.0 p -66.4 -7.0 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.054 -0.521 . . . . 1.26 111.265 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 69.1 mttm -61.52 -29.02 69.73 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.396 -0.366 . . . . 2.74 110.067 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.71 13.11 15.05 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.851 0.686 . . . . 2.65 112.851 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.45 -121.26 6.91 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.506 -0.854 . . . . 1.43 111.368 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -60.5 122.13 65.47 Favored Pre-proline 0 CA--C 1.519 -0.226 0 N-CA-C 106.078 -1.823 . . . . 4.53 106.078 165.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HB2' ' OG ' ' A' ' 23' ' ' SER . 29.8 Cg_endo -76.65 62.02 7.06 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 C-N-CA 120.62 0.88 . . . . 3.25 113.235 -153.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -32.33 69.93 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 120.853 1.661 . . . . 2.56 113.141 -149.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.576 HG22 ' OE1' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -155.44 167.43 30.4 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 125.086 1.354 . . . . 1.92 108.495 -172.058 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.36 117.22 31.11 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.808 -1.182 . . . . 1.23 107.808 160.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.562 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 2.5 m-20 -85.41 -179.46 6.95 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.348 -0.941 . . . . 2.75 109.634 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.962 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 46.7 tt0 -50.15 -43.04 51.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.651 0.612 . . . . 2.11 112.651 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.05 -41.41 40.08 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.62 -0.8 . . . . 0.46 111.917 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.562 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 4.0 mp0 -67.33 -41.05 85.87 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.074 -0.563 . . . . 2.0 110.162 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HE2' ' O ' ' A' ' 59' ' ' ILE . 58.0 t80 -64.86 -49.98 68.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.846 . . . . 2.37 110.897 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -53.36 -45.47 69.18 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.025 -0.534 . . . . 1.95 110.703 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 24.8 tt0 -69.53 -44.69 70.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 1.74 111.677 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.46 -49.86 73.38 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.506 -0.553 . . . . 2.07 109.506 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.562 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -59.75 -37.13 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.398 0.618 . . . . 1.18 110.688 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 ttm180 -73.3 -29.96 63.07 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.539 -0.755 . . . . 3.84 111.947 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 56.5 mmtt -95.06 -50.52 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.265 0.468 . . . . 2.86 112.265 -172.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CG ' ' HB3' ' B' ' 8' ' ' LEU . 1.9 t70 -103.18 -42.71 5.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.98 -0.688 . . . . 1.88 111.386 -172.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.633 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 89.8 mt -78.78 3.1 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 1.29 109.948 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.562 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.7 pt20 -51.0 -21.95 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.908 -1.042 . . . . 2.21 111.412 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' OD1' ' HG2' ' B' ' 9' ' ' GLU . 7.4 p30 -103.14 -47.08 4.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.617 -0.265 . . . . 2.9 110.762 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.647 ' HB2' ' CD ' ' B' ' 9' ' ' GLU . 15.5 t80 -68.66 -35.26 77.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 122.057 0.932 . . . . 2.75 109.435 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.22 23.78 13.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.568 -1.196 . . . . 1.36 110.041 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 18.8 ptpt -47.5 -50.25 23.83 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.319 0.387 . . . . 2.82 111.687 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.709 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -65.81 -32.15 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.357 0.599 . . . . 2.0 110.742 -176.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.709 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 34.3 tt0 -76.42 -33.77 58.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.13 110.407 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -69.38 -16.3 63.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.525 -0.761 . . . . 1.7 110.334 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.1 mtpp -82.2 -8.51 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 3.82 110.892 -177.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.63 146.33 50.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.072 0.463 . . . . 1.95 110.078 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -84.93 -44.46 13.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 2.46 111.367 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -67.37 -24.35 65.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 3.01 111.633 -173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 4.0 t -72.85 -40.41 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.568 . . . . 1.43 109.465 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 ' O ' ' HE2' ' A' ' 37' ' ' PHE . 19.7 mm -61.74 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.678 -0.86 . . . . 1.76 108.678 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 63' ' ' MET . 43.9 mt-10 -61.43 -34.55 75.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.736 -0.665 . . . . 1.86 111.344 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -60.12 -51.27 70.31 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.992 -0.283 . . . . 2.45 110.576 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.424 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 50.0 mt -69.32 -33.15 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.754 0.788 . . . . 1.92 109.936 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.962 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.6 tpt -53.51 -38.18 63.47 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.493 -1.685 . . . . 1.27 111.462 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 4.4 tm-20 -120.91 -29.92 4.51 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 114.673 -2.811 . . . . 2.37 110.988 -172.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.88 -33.93 69.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.05 -0.66 . . . . 1.93 110.235 172.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.97 -18.77 31.68 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.08 -0.388 . . . . 1.87 112.031 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.498 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 11.4 t70 -64.27 77.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 122.288 1.042 . . . . 1.39 110.949 -176.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -71.56 -21.84 61.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.858 -1.519 . . . . 2.54 110.001 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.23 -3.63 58.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.159 -0.682 . . . . 2.89 109.159 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.37 25.45 6.02 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.48 -1.237 . . . . 1.71 113.689 168.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 2.7 t70 -120.7 17.96 11.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.331 . . . . 1.95 110.703 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER 64.85 47.2 2.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.071 -1.085 . . . . 2.22 108.071 -171.208 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.576 ' OE1' HG22 ' A' ' 31' ' ' THR . 76.3 mt-30 -141.06 143.21 34.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.853 -1.521 . . . . 2.32 109.528 -173.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 52.5 mt -122.06 112.82 18.71 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.283 -0.636 . . . . 1.34 109.283 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -74.43 166.32 23.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.489 -0.93 . . . . 1.78 108.489 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 25.0 p90 -51.01 -38.26 50.22 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.015 -0.274 . . . . 3.75 111.566 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 80' ' ' ILE . 48.4 mt-10 -64.17 -41.33 97.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.73 0.3 . . . . 2.03 111.637 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.14 -44.16 63.56 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.457 0.646 . . . . 3.18 110.491 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.517 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 46.4 t80 -71.78 -28.35 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.141 -0.481 . . . . 3.91 110.955 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 77' ' ' GLU . 4.9 tp -67.82 -37.29 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 2.63 109.338 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.49 -35.46 68.02 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.28 -0.418 . . . . 2.19 110.073 172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 82' ' ' LEU . 3.1 tt -58.3 -41.8 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.435 -0.58 . . . . 1.99 109.435 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.477 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 34.5 mmt -59.14 -25.52 63.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 1.59 110.749 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.59 -35.34 60.6 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.951 0.405 . . . . 1.16 110.454 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.26 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.704 -0.85 . . . . 2.07 108.704 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.16 -34.24 77.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.057 -0.974 . . . . 2.16 109.871 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.5 m -65.04 -36.1 83.28 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.867 -0.333 . . . . 1.2 110.841 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.693 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.4 t-105 -66.17 -37.2 85.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.06 -0.656 . . . . 4.33 109.577 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.04 91.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 1.84 110.839 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.598 ' OG ' HD11 ' B' ' 16' ' ' ILE . 13.0 p -72.18 -23.89 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 2.14 110.939 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 33.1 t-80 -65.42 -33.25 75.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 3.9 109.194 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 7.0 mm-40 . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.136 -0.938 . . . . 3.3 109.894 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 112.676 0.621 . . . . 3.29 112.676 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.525 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 20.2 t -87.25 179.37 6.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 1.66 110.459 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.06 -48.05 79.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.676 0.621 . . . . 2.52 112.676 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.689 ' O ' HG13 ' B' ' 12' ' ' ILE . 13.4 tp -67.32 -44.04 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.966 -0.753 . . . . 2.42 108.966 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 48' ' ' PHE . 3.9 tp10 -55.98 -50.73 70.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.584 -1.189 . . . . 2.28 111.775 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' B' ' 6' ' ' SER . 89.2 mtt180 -60.19 -37.87 81.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.802 -0.635 . . . . 4.16 109.89 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.542 ' ND2' ' HB ' ' A' ' 14' ' ' THR . 4.7 m-20 -69.02 -37.43 78.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 2.21 111.132 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.689 HG13 ' O ' ' B' ' 8' ' ' LEU . 58.3 mt -62.2 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 110.062 -0.347 . . . . 1.06 110.062 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.386 . . . . 1.95 111.077 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.542 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 85.1 m -63.77 -37.78 88.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.285 0.564 . . . . 0.96 110.065 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 11' ' ' ASN . 4.1 mt -64.47 -49.46 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.72 -0.673 . . . . 1.13 110.674 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.598 HD11 ' OG ' ' A' ' 90' ' ' SER . 93.6 mt -62.45 -39.5 84.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.937 -0.574 . . . . 1.16 110.688 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.685 ' HA ' ' CE1' ' B' ' 20' ' ' HIS . 10.3 m-80 -59.66 -40.72 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.42 -0.355 . . . . 2.45 110.627 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.674 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 69.5 m -63.52 -49.53 73.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.357 -0.383 . . . . 1.41 110.582 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' HE1' ' B' ' 79' ' ' PHE . 10.6 m-30 -58.96 -52.49 65.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 4.47 110.69 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.716 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 1.2 p-80 -71.08 -20.91 62.3 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 112.776 0.658 . . . . 3.55 112.776 -174.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.674 ' HG2' ' O ' ' B' ' 18' ' ' THR . 25.2 pt20 -73.63 -32.29 63.97 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.647 0.658 . . . . 1.64 110.266 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.461 ' HD1' ' O ' ' B' ' 18' ' ' THR . 79.4 m-85 -78.86 -33.72 45.64 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.27 -0.572 . . . . 2.25 110.641 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.716 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 57.8 p -79.48 -30.24 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.35 111.043 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' B' ' 20' ' ' HIS . 5.9 p -66.64 -6.25 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.075 -0.511 . . . . 1.26 111.309 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 69.0 mttm -62.14 -28.78 69.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.343 -0.39 . . . . 2.74 110.119 178.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.97 13.16 15.45 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.884 0.698 . . . . 2.65 112.884 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.18 -121.21 6.93 Favored Glycine 0 N--CA 1.461 0.313 0 C-N-CA 120.605 -0.807 . . . . 1.43 111.322 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -60.92 122.11 66.72 Favored Pre-proline 0 CA--C 1.519 -0.234 0 N-CA-C 106.068 -1.827 . . . . 4.53 106.068 166.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.51 ' HB2' ' OG ' ' B' ' 23' ' ' SER . 30.3 Cg_endo -76.45 61.78 6.84 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 C-N-CA 120.63 0.887 . . . . 3.25 113.333 -153.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -70.44 -32.26 69.77 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 120.913 1.688 . . . . 2.56 113.129 -148.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.591 HG22 ' OE1' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -155.59 167.25 30.98 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 125.121 1.368 . . . . 1.92 108.458 -171.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.18 117.26 30.98 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.794 -1.187 . . . . 1.23 107.794 160.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.559 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 2.5 m-20 -85.02 -179.43 7.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.485 -0.886 . . . . 2.74 109.733 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.966 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 46.4 tt0 -50.3 -42.95 53.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.507 0.558 . . . . 2.11 112.507 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.12 -41.07 40.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.447 -0.882 . . . . 0.46 111.974 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.559 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.7 mp0 -67.66 -41.02 84.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 2.01 110.14 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.436 ' HE2' ' O ' ' B' ' 59' ' ' ILE . 57.8 t80 -64.89 -49.85 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.461 -0.79 . . . . 2.37 110.924 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -53.5 -45.37 69.65 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.95 110.652 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 24.3 tt0 -69.68 -44.56 70.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 1.75 111.785 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.56 -49.91 73.43 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.463 -0.569 . . . . 2.07 109.463 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.562 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.0 t -59.78 -37.02 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.439 0.638 . . . . 1.18 110.735 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 40.7 ttm180 -73.28 -30.14 63.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.513 -0.767 . . . . 3.84 111.815 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 56.6 mmtt -94.92 -50.57 5.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.275 0.472 . . . . 2.86 112.275 -172.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.613 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 1.9 t70 -103.11 -42.44 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.09 -0.644 . . . . 1.87 111.456 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 90.0 mt -78.95 3.1 18.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.341 0.591 . . . . 1.29 109.926 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.566 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.7 pt20 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.94 -1.027 . . . . 2.21 111.536 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.454 ' OD1' ' HG2' ' A' ' 9' ' ' GLU . 7.4 p30 -102.83 -47.1 4.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.445 -0.343 . . . . 2.9 110.857 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.65 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 15.6 t80 -68.68 -35.41 77.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 122.056 0.932 . . . . 2.75 109.517 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -108.0 23.81 13.91 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.392 -1.276 . . . . 1.36 110.024 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 18.8 ptpt -47.46 -50.46 23.0 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.255 0.347 . . . . 2.81 111.643 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.709 ' HD2' ' N ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -65.83 -31.99 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.474 0.654 . . . . 2.0 110.688 -176.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.709 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 34.6 tt0 -76.52 -33.93 58.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.121 -0.945 . . . . 2.13 110.41 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.25 -16.31 63.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.524 -0.762 . . . . 1.7 110.461 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.1 mtpp -82.37 -8.07 59.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.599 -0.728 . . . . 3.82 110.99 -177.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -127.72 146.72 50.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 1.95 110.089 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.33 -44.69 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.037 -0.529 . . . . 2.46 111.342 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -67.41 -24.28 65.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.766 -0.652 . . . . 3.01 111.736 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 4.0 t -72.69 -40.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.566 -0.531 . . . . 1.42 109.566 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.436 ' O ' ' HE2' ' B' ' 37' ' ' PHE . 19.1 mm -61.56 -40.39 86.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 N-CA-C 108.788 -0.819 . . . . 1.76 108.788 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' B' ' 63' ' ' MET . 43.9 mt-10 -61.55 -34.65 75.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.7 -0.682 . . . . 1.85 111.214 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.87 -51.22 70.64 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 121.097 -0.241 . . . . 2.45 110.692 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.429 ' HA ' ' OD1' ' B' ' 65' ' ' ASP . 50.4 mt -69.46 -33.24 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.743 0.783 . . . . 1.92 109.961 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.966 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.6 tpt -53.36 -38.15 63.04 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.428 -1.715 . . . . 1.26 111.441 173.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.495 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 4.5 tm-20 -120.89 -30.08 4.49 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 114.527 -2.869 . . . . 2.36 110.937 -172.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD1' ' HA ' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -57.71 -34.28 69.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.219 173.074 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.62 -18.82 32.18 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 112.052 0.389 . . . . 1.87 112.052 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.495 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 11.4 t70 -64.25 78.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.445 1.117 . . . . 1.4 110.959 -176.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 31.2 m -71.7 -21.91 61.72 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.768 -1.56 . . . . 2.54 110.066 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.19 -3.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.043 -0.725 . . . . 2.89 109.043 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.42 25.42 6.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.531 -1.213 . . . . 1.71 113.541 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 2.5 t70 -120.59 18.14 12.02 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.113 -0.367 . . . . 1.95 110.714 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.421 ' NZ ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.0 2.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.069 -1.086 . . . . 2.22 108.069 -171.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.591 ' OE1' HG22 ' B' ' 31' ' ' THR . 76.3 mt-30 -141.1 143.14 34.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.956 -1.474 . . . . 2.32 109.613 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.418 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 52.2 mt -122.12 112.67 18.5 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.284 -0.635 . . . . 1.34 109.284 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -74.72 166.25 23.9 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.484 -0.932 . . . . 1.78 108.484 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 25.2 p90 -50.84 -38.37 48.6 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.688 0.255 . . . . 3.75 111.688 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.548 ' O ' HG23 ' B' ' 80' ' ' ILE . 47.9 mt-10 -64.14 -41.31 97.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 2.04 111.632 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.07 -44.08 63.86 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.531 0.681 . . . . 3.18 110.553 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.515 ' HE1' ' CE2' ' B' ' 19' ' ' PHE . 46.5 t80 -71.84 -28.27 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.07 -0.513 . . . . 3.91 110.993 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.548 HG23 ' O ' ' B' ' 77' ' ' GLU . 4.9 tp -67.94 -37.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.297 -0.631 . . . . 2.62 109.297 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.6 -35.48 68.3 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.989 0.423 . . . . 2.19 110.062 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.466 HD21 ' O ' ' B' ' 82' ' ' LEU . 3.1 tt -58.33 -41.79 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.428 -0.582 . . . . 1.99 109.428 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.478 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 34.5 mmt -59.17 -25.54 64.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 1.59 110.752 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.62 -35.21 60.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.878 0.37 . . . . 1.15 110.508 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.37 -39.11 92.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.837 -0.801 . . . . 2.07 108.837 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 31.8 mt -67.27 -34.27 77.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.034 -0.984 . . . . 2.16 109.793 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 51.9 m -64.9 -36.19 83.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.825 -0.35 . . . . 1.2 110.833 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.691 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t-105 -66.25 -36.98 84.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.114 -0.634 . . . . 4.33 109.534 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.93 90.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 1.84 110.89 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.598 ' OG ' HD11 ' A' ' 16' ' ' ILE . 12.9 p -72.26 -23.84 61.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.774 0.321 . . . . 2.13 110.912 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 33.5 t-80 -65.5 -33.16 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.606 0.717 . . . . 3.9 109.201 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.691 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 6.9 mm-40 . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 115.066 -0.97 . . . . 3.29 109.949 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.418 ' HB3' ' HB2' ' A' ' 9' ' ' GLU . 66.3 mtm . . . . . 0 C--O 1.235 0.305 0 CA-C-O 121.352 0.596 . . . . 3.29 111.263 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -75.39 178.38 5.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.783 -1.099 . . . . 1.65 110.874 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.433 HE21 ' CG2' ' B' ' 14' ' ' THR . 44.0 tt0 -55.78 -45.28 78.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.385 -0.371 . . . . 2.51 110.4 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 12' ' ' ILE . 14.5 tp -65.81 -45.76 81.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.118 -0.492 . . . . 2.42 110.445 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.69 ' OE1' ' HA ' ' B' ' 45' ' ' LEU . 4.5 mm-40 -57.44 -51.32 69.91 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 2.29 110.854 -174.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.79 -38.52 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.434 -0.803 . . . . 4.15 110.951 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.64 -40.28 76.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 2.22 110.664 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.0 mt -62.66 -47.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.034 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.68 -35.66 72.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.785 -0.643 . . . . 1.95 111.555 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.45 ' CG2' HE21 ' B' ' 7' ' ' GLN . 50.1 m -66.4 -39.01 88.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.192 0.52 . . . . 0.96 110.495 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 66.4 mt -67.38 -48.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.12 110.39 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 12' ' ' ILE . 67.0 mt -60.41 -36.94 72.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 1.16 110.591 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.85 -39.69 83.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.684 -0.234 . . . . 2.45 111.151 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 55.6 m -62.56 -44.47 96.25 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.315 -0.624 . . . . 1.42 109.315 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.87 -49.08 69.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.546 -0.752 . . . . 4.47 109.817 170.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -55.58 -50.85 68.99 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.883 -0.599 . . . . 3.54 112.313 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.2 pt20 -61.67 -37.56 84.53 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.201 -0.2 . . . . 1.64 111.067 -173.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.89 -38.74 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.705 -0.398 . . . . 2.26 111.283 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.811 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 36.8 p -69.99 -38.66 76.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.496 0.665 . . . . 1.35 110.741 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.545 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.8 p -72.11 -3.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.281 -0.872 . . . . 1.26 111.452 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 48.0 mtpt -63.97 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 2.74 109.754 174.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tt -88.17 -23.51 23.59 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.683 -0.69 . . . . 2.65 111.062 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -105.21 1.04 Allowed Glycine 0 C--O 1.228 -0.263 0 N-CA-C 111.44 -0.664 . . . . 1.43 111.44 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.98 95.34 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.212 0 N-CA-C 106.759 -1.571 . . . . 4.53 106.759 166.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.811 ' O ' ' HB2' ' A' ' 23' ' ' SER . 62.8 Cg_endo -74.7 31.55 0.35 Allowed 'Trans proline' 0 C--O 1.219 -0.441 0 N-CA-C 116.319 1.623 . . . . 3.25 116.319 -151.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 5.81 2.2 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.282 2.764 . . . . 2.56 113.87 -146.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.669 ' HG1' ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -156.74 163.7 38.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.493 0.717 . . . . 1.92 110.771 -174.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HG1' ' A' ' 31' ' ' THR . 93.7 mt -98.22 123.97 42.57 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.33 -0.989 . . . . 1.23 108.33 160.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.83 173.49 12.55 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.812 -0.755 . . . . 2.75 109.672 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 6.0 tt0 -50.66 -44.26 57.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.365 0.416 . . . . 2.11 111.081 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.15 70.36 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.639 -0.791 . . . . 0.46 111.593 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 1.2 mp0 -69.29 -43.36 73.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.576 -0.312 . . . . 2.0 111.172 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.07 -49.46 69.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.193 -0.458 . . . . 2.37 110.82 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 44.3 mtpt -64.25 -33.53 76.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.399 . . . . 1.95 110.481 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.81 -45.45 67.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.647 -0.706 . . . . 1.74 110.411 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.21 -46.85 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 2.07 109.728 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 70.2 t -59.39 -37.43 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 1.18 110.565 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 14.2 ttm180 -72.94 -28.3 62.35 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.99 -0.55 . . . . 3.84 111.701 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -104.72 -45.96 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.314 0.857 . . . . 2.86 113.314 -173.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -43.67 7.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.049 -0.66 . . . . 1.88 111.494 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.707 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 59.9 mt -86.96 3.08 47.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.932 0.396 . . . . 1.29 110.614 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 16.1 pt20 -52.25 -24.38 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.64 . . . . 2.21 111.609 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -94.88 -48.51 5.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.374 -0.375 . . . . 2.9 110.465 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.65 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -76.23 -35.41 59.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 2.75 110.344 -175.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 mt -99.23 26.54 5.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 1.36 110.024 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.12 -57.31 3.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.0 -0.545 . . . . 2.82 111.713 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.43 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 2.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 0.7 OUTLIER -73.11 -38.03 66.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 2.13 110.557 176.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -15.69 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.614 0.721 . . . . 1.7 110.177 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -82.03 -3.66 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.167 -0.924 . . . . 3.82 110.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -131.27 169.75 15.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 1.95 110.399 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -109.39 -49.56 3.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 2.46 110.001 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.06 -31.0 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.788 -0.642 . . . . 3.01 111.589 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 23.1 t -64.53 -35.81 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.43 -0.35 . . . . 1.43 110.317 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.5 mm -70.58 -35.83 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 1.76 109.663 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.4 -36.68 83.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.179 -0.464 . . . . 1.86 110.931 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -67.53 -48.5 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 2.45 110.32 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.32 -33.87 63.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.356 0.598 . . . . 1.92 109.83 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.405 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 13.7 tpt -60.8 -52.6 64.39 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 114.565 -1.198 . . . . 1.27 111.586 176.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.0 tt0 -99.13 -28.26 13.45 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 113.665 -3.214 . . . . 2.37 108.842 -159.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.099 -0.64 . . . . 1.93 110.395 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 57.2 mt -74.72 -30.62 61.58 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.9 -0.32 . . . . 1.87 111.427 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 32.9 t0 -63.69 78.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.834 0.854 . . . . 1.39 111.43 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.2 m -63.49 -26.3 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.013 -0.994 . . . . 2.54 111.001 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.58 -4.46 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.471 -0.566 . . . . 2.89 109.471 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.55 25.64 4.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.79 -1.096 . . . . 1.71 112.814 172.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.61 22.87 11.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 1.95 111.109 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.96 41.96 4.49 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.616 -0.883 . . . . 2.22 108.616 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 92.6 mt-30 -141.74 142.0 33.27 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.467 -1.242 . . . . 2.32 110.257 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 42.0 mt -119.18 113.36 20.77 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.948 -0.76 . . . . 1.34 108.948 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.473 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 7.7 t -77.74 172.15 13.86 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.757 -1.201 . . . . 1.78 107.757 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CB ' HG21 ' B' ' 87' ' ' THR . 1.4 p90 -53.84 -39.93 66.04 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.702 0.63 . . . . 3.75 112.702 -175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 80' ' ' ILE . 48.1 mt-10 -67.39 -36.16 80.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.971 0.415 . . . . 2.03 110.86 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 mp0 -69.83 -46.22 66.09 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.505 0.669 . . . . 3.18 109.906 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 60.7 t80 -68.68 -29.2 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.672 . . . . 3.91 111.105 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 77' ' ' GLU . 3.0 tp -69.45 -40.21 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.422 -0.511 . . . . 2.63 110.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.518 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 89.4 mmm -55.21 -31.88 61.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 2.19 111.328 170.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.7 tm? -62.75 -39.21 93.43 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.631 -0.507 . . . . 1.99 109.631 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.6 mmt -60.23 -30.62 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 1.59 109.958 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.76 -30.61 59.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.288 -0.414 . . . . 1.16 110.607 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 81' ' ' MET . 32.0 mtp85 -68.12 -36.44 79.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.645 0.736 . . . . 2.07 109.128 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.91 -30.28 70.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.126 -0.943 . . . . 2.16 109.411 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.512 HG21 ' CB ' ' B' ' 76' ' ' PHE . 76.7 m -70.86 -26.36 63.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.518 -0.473 . . . . 1.2 110.562 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.3 m0 -66.06 -36.04 82.16 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.388 -0.967 . . . . 4.33 108.388 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -63.48 -46.03 88.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.914 -1.039 . . . . 1.84 110.508 175.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -77.06 -1.54 29.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.219 -0.446 . . . . 2.14 111.876 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.62 -40.93 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 3.9 108.284 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 2.6 pt-20 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 114.635 -1.166 . . . . 3.3 110.105 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.424 ' HB3' ' HB2' ' B' ' 9' ' ' GLU . 65.6 mtm . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 121.286 0.565 . . . . 3.29 111.183 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -75.31 178.52 5.77 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.798 -1.092 . . . . 1.66 110.958 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . 0.45 HE21 ' CG2' ' A' ' 14' ' ' THR . 44.1 tt0 -55.88 -45.31 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.302 -0.408 . . . . 2.52 110.271 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.549 ' O ' HG13 ' B' ' 12' ' ' ILE . 14.4 tp -65.84 -45.77 80.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.087 -0.506 . . . . 2.42 110.541 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.707 ' OE1' ' HA ' ' A' ' 45' ' ' LEU . 4.4 mm-40 -57.32 -51.32 69.85 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.261 0.553 . . . . 2.28 110.876 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -60.81 -38.54 85.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 4.16 110.958 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.7 -40.22 76.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 2.21 110.552 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 8' ' ' LEU . 84.1 mt -62.83 -47.83 90.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.394 . . . . 1.06 109.973 177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.68 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 1.95 111.66 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.433 ' CG2' HE21 ' A' ' 7' ' ' GLN . 48.1 m -66.48 -39.17 88.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.128 0.489 . . . . 0.96 110.478 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 66.1 mt -67.32 -48.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.13 110.368 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 12' ' ' ILE . 67.2 mt -60.41 -36.85 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.679 -0.691 . . . . 1.16 110.634 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -67.84 -39.94 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.629 -0.259 . . . . 2.45 111.118 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 54.2 m -62.33 -44.63 96.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.285 -0.635 . . . . 1.41 109.285 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -53.86 -48.93 69.51 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.493 -0.776 . . . . 4.47 109.858 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -55.73 -50.82 69.33 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.964 -0.562 . . . . 3.55 112.287 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 18' ' ' THR . 21.2 pt20 -61.65 -37.54 84.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.179 -0.208 . . . . 1.64 111.017 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.01 -38.58 36.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.64 -0.424 . . . . 2.25 111.261 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.802 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 36.9 p -70.08 -38.74 75.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.488 0.661 . . . . 1.35 110.623 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.8 p -72.12 -4.18 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.376 -0.829 . . . . 1.26 111.411 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 47.9 mtpt -63.88 -22.43 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 2.74 109.678 174.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.32 -23.48 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.667 -0.697 . . . . 2.65 111.119 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.68 -105.25 1.04 Allowed Glycine 0 C--O 1.229 -0.171 0 N-CA-C 111.379 -0.688 . . . . 1.43 111.379 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.93 95.42 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.205 0 N-CA-C 106.721 -1.585 . . . . 4.53 106.721 166.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.802 ' O ' ' HB2' ' B' ' 23' ' ' SER . 61.8 Cg_endo -74.73 31.69 0.35 Allowed 'Trans proline' 0 C--O 1.22 -0.4 0 N-CA-C 116.316 1.622 . . . . 3.25 116.316 -151.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.71 5.82 2.28 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 123.386 2.812 . . . . 2.56 113.74 -146.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.69 ' HG1' ' N ' ' B' ' 32' ' ' LEU . 0.6 OUTLIER -156.67 163.62 39.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.476 0.71 . . . . 1.92 110.88 -174.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.69 ' N ' ' HG1' ' B' ' 31' ' ' THR . 93.7 mt -98.27 124.04 42.68 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.309 -0.997 . . . . 1.23 108.309 160.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -80.96 173.15 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.778 -0.769 . . . . 2.74 109.626 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 6.0 tt0 -50.25 -44.16 53.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.91 0.386 . . . . 2.11 111.19 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.26 -35.19 69.75 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.646 -0.788 . . . . 0.46 111.647 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.472 ' HG3' ' HD3' ' B' ' 25' ' ' LYS . 1.3 mp0 -69.47 -43.29 73.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.343 . . . . 2.01 111.149 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.02 -49.56 69.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 2.37 110.825 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' B' ' 34' ' ' GLN . 44.0 mtpt -64.05 -33.56 76.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.901 0.381 . . . . 1.95 110.5 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.71 -45.49 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.723 -0.671 . . . . 1.75 110.477 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.36 -46.77 85.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 2.07 109.74 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.555 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.5 t -59.33 -37.39 69.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.81 -0.632 . . . . 1.18 110.593 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.65 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 14.3 ttm180 -73.0 -28.46 62.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 3.84 111.674 -175.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -104.62 -45.98 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.34 0.867 . . . . 2.86 113.34 -173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.41 -43.78 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.064 -0.654 . . . . 1.87 111.518 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.69 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 60.9 mt -86.9 2.97 47.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 1.29 110.665 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.65 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 16.1 pt20 -52.3 -24.12 6.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.747 -0.66 . . . . 2.21 111.643 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -94.99 -48.53 5.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.407 -0.36 . . . . 2.9 110.342 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.638 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -76.18 -35.45 59.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.339 0.59 . . . . 2.75 110.361 -175.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -99.27 26.66 5.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.393 -0.821 . . . . 1.36 110.022 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.22 -57.38 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.657 0.598 . . . . 2.81 111.718 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 2.0 111.68 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.456 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -73.13 -37.99 66.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.376 . . . . 2.13 110.626 176.296 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -69.71 -15.68 63.2 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.63 0.728 . . . . 1.7 110.116 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -81.97 -3.98 55.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.173 -0.921 . . . . 3.82 110.127 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -131.02 169.88 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.95 110.305 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -109.56 -49.45 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.923 -0.581 . . . . 2.46 110.035 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -62.15 -31.06 71.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 3.01 111.571 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 22.8 t -64.43 -35.96 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.98 0.419 . . . . 1.42 110.322 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 mm -70.55 -35.91 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.577 -0.527 . . . . 1.76 109.577 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.41 -36.77 83.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.112 0.482 . . . . 1.85 110.809 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -67.56 -48.33 67.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 2.45 110.372 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 58' ' ' VAL . 59.1 mt -63.44 -33.71 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 1.92 109.942 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.415 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 13.7 tpt -60.87 -52.58 64.47 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 114.528 -1.214 . . . . 1.26 111.699 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.481 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 26.5 tt0 -99.22 -28.12 13.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 113.671 -3.212 . . . . 2.36 108.764 -159.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.68 -38.0 71.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.262 -0.575 . . . . 1.93 110.495 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' B' ' 78' ' ' GLU . 56.7 mt -75.04 -30.67 61.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.958 -0.297 . . . . 1.87 111.412 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 31.2 t0 -63.68 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.076 0.86 . . . . 1.4 111.277 -175.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.6 m -64.29 -26.57 68.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.904 -1.044 . . . . 2.54 110.961 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -87.47 -4.29 59.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 2.89 109.523 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.78 25.65 5.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.029 -0.987 . . . . 1.71 112.758 171.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.75 22.88 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.5 -0.318 . . . . 1.95 111.205 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.95 41.95 4.52 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.591 -0.892 . . . . 2.22 108.591 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.461 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 92.7 mt-30 -141.72 142.42 33.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.374 -1.284 . . . . 2.32 110.122 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.415 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 41.7 mt -119.59 113.32 20.53 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.009 -0.737 . . . . 1.34 109.009 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' SER . . . . . 0.456 ' HB3' ' OE2' ' B' ' 78' ' ' GLU . 7.6 t -77.68 171.98 14.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.876 -1.157 . . . . 1.78 107.876 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.512 ' CB ' HG21 ' A' ' 87' ' ' THR . 1.3 p90 -53.66 -40.06 65.57 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 112.612 0.597 . . . . 3.75 112.612 -175.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.445 ' O ' HG23 ' B' ' 80' ' ' ILE . 47.0 mt-10 -67.56 -35.54 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 2.04 110.952 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.456 ' OE2' ' HB3' ' B' ' 75' ' ' SER . 1.4 mp0 -70.43 -46.18 64.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.593 0.711 . . . . 3.18 109.824 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 60.5 t80 -68.7 -29.15 67.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.635 -0.712 . . . . 3.91 111.134 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.56 -40.13 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.387 -0.525 . . . . 2.62 110.012 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.519 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 89.0 mmm -55.3 -31.76 61.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.52 0.2 . . . . 2.19 111.323 170.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.7 tm? -62.82 -39.17 93.49 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.5 mmt -60.3 -30.39 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 1.59 110.039 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.85 -30.65 58.99 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.15 110.687 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 81' ' ' MET . 32.2 mtp85 -67.97 -36.74 80.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.664 0.745 . . . . 2.07 109.115 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.8 -30.15 70.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.155 -0.929 . . . . 2.16 109.445 171.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 76' ' ' PHE . 77.3 m -70.91 -26.47 63.23 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.458 -0.497 . . . . 1.2 110.518 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.507 ' CD2' ' HA ' ' B' ' 85' ' ' ARG . 44.2 m0 -65.94 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.456 -0.942 . . . . 4.33 108.456 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -63.8 -45.92 87.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.911 -1.04 . . . . 1.84 110.49 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 36.8 m -76.92 -1.74 30.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.271 -0.422 . . . . 2.13 111.906 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -80.57 -40.99 24.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 3.9 108.316 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 2.7 pt-20 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.704 -1.134 . . . . 3.29 110.136 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.681 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 94.3 mtp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 113.537 0.94 . . . . 3.29 113.537 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -75.84 176.9 7.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.965 -1.471 . . . . 1.65 111.509 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.421 HE21 ' CG2' ' B' ' 14' ' ' THR . 54.2 tt0 -58.27 -48.38 80.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.109 0.481 . . . . 2.51 110.919 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.598 ' O ' HG13 ' A' ' 12' ' ' ILE . 3.2 tm? -63.21 -43.67 97.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.139 -0.937 . . . . 2.42 109.13 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.681 ' OE1' ' HA ' ' A' ' 5' ' ' MET . 7.2 tt0 -63.19 -50.17 71.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.132 -1.395 . . . . 2.29 111.701 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -59.73 -35.39 74.46 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.954 -0.567 . . . . 4.15 111.176 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 15' ' ' ILE . 11.5 m120 -66.96 -37.56 84.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.871 -0.604 . . . . 2.22 110.841 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 8' ' ' LEU . 28.7 mt -62.47 -49.51 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.019 0.438 . . . . 1.05 109.965 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.6 -42.42 92.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.365 -0.834 . . . . 1.95 110.186 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.436 ' CG2' HE21 ' B' ' 7' ' ' GLN . 40.0 m -65.61 -41.62 92.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.839 -0.619 . . . . 0.96 110.919 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 8.7 mt -63.35 -47.08 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.321 -0.399 . . . . 1.12 110.664 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 12' ' ' ILE . 96.7 mt -56.44 -52.11 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 1.16 111.531 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.71 0.263 . . . . 2.45 111.71 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 84.0 m -71.02 -51.59 24.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.425 -0.51 . . . . 1.42 110.383 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CD2' HD12 ' A' ' 40' ' ' LEU . 38.3 m-85 -59.35 -42.33 91.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.034 0.445 . . . . 4.47 110.348 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.518 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 8.7 t-80 -70.66 -23.99 62.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.794 -0.639 . . . . 3.54 111.83 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.742 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.1 pt20 -73.59 -32.15 63.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.219 -0.66 . . . . 1.64 109.219 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HD2' ' O ' ' A' ' 18' ' ' THR . 92.3 m-85 -79.59 -33.24 41.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.208 -0.451 . . . . 2.26 110.962 174.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 29' ' ' PRO . 84.7 p -66.63 -41.62 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.573 0.702 . . . . 1.35 109.19 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 28' ' ' HIS . 4.2 p -75.65 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.051 -0.977 . . . . 1.26 112.155 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 27.5 mtpp -58.92 -29.38 67.04 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.798 0.666 . . . . 2.74 112.798 -176.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.459 ' HB3' ' HG2' ' A' ' 29' ' ' PRO . 25.1 tp -89.95 12.63 16.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.146 0.498 . . . . 2.65 111.095 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.09 -96.5 0.22 Allowed Glycine 0 N--CA 1.453 -0.223 0 N-CA-C 111.402 -0.679 . . . . 1.43 111.402 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.669 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 76.6 m-70 -131.32 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 113.431 0.9 . . . . 4.53 113.431 170.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.669 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 85.5 Cg_exo -56.48 166.37 3.6 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.55 2.167 . . . . 3.25 115.388 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.71 8.76 10.64 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.466 -2.152 . . . . 2.56 108.317 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -127.63 149.55 50.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.03 -1.441 . . . . 1.92 109.727 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.3 mt -91.88 118.77 31.04 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 108.195 -1.039 . . . . 1.23 108.195 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.507 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 1.7 m-20 -85.41 168.81 14.27 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.559 -0.904 . . . . 2.75 108.559 178.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.895 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 29.8 tt0 -51.23 -40.17 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.413 0.523 . . . . 2.11 112.413 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.02 -41.91 38.68 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.668 -0.777 . . . . 0.46 111.931 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' OE2' ' HB2' ' A' ' 33' ' ' ASN . 4.9 mp0 -65.79 -40.79 92.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.181 -0.51 . . . . 2.0 110.732 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.31 -47.32 76.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 2.37 110.919 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 94.4 mttt -54.05 -48.31 70.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.781 0.324 . . . . 1.95 110.609 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.673 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 37.2 tt0 -64.66 -46.82 80.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.654 . . . . 1.74 110.751 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 19' ' ' PHE . 9.4 tt -57.44 -50.23 73.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 2.07 109.915 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 50.2 t -55.91 -37.1 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 1.18 110.903 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 79.7 mtt180 -70.46 -30.15 66.91 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.36 0.874 . . . . 3.84 113.36 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.48 -41.93 4.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.535 1.309 . . . . 2.86 114.535 -173.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' B' ' 9' ' ' GLU . 2.0 p30 -106.8 -25.42 11.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.426 1.012 . . . . 1.88 113.059 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 96.2 mt -98.24 1.84 47.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.996 0.427 . . . . 1.29 110.357 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.562 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 14.8 pt20 -53.21 -21.22 4.88 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.318 0.858 . . . . 2.21 113.318 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD ' ' B' ' 9' ' ' GLU . 26.0 t-20 -95.35 -39.35 10.07 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.987 -0.445 . . . . 2.9 109.954 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HE3' ' B' ' 5' ' ' MET . 2.6 m-30 -73.59 -35.65 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.482 0.658 . . . . 2.75 110.594 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.77 26.4 10.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.404 -0.817 . . . . 1.36 109.593 177.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 39.2 ttmt -46.0 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 2.82 112.952 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.14 -30.79 69.12 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.128 -0.629 . . . . 2.0 110.259 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG3' HG11 ' A' ' 58' ' ' VAL . 15.5 mp0 -65.23 -37.69 88.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 2.13 111.551 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -72.78 -14.64 61.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.919 0.39 . . . . 1.7 111.298 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.36 -9.06 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 3.82 110.562 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -122.81 145.7 48.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 1.95 109.629 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 48.5 mt-10 -87.93 -39.95 14.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.219 -0.446 . . . . 2.46 110.641 -177.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.45 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.602 -0.726 . . . . 3.01 111.522 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 52' ' ' GLU . 43.5 t -65.68 -41.75 91.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 1.43 110.278 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 mm -69.17 -35.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.562 -0.533 . . . . 1.76 109.562 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 47.8 mt-10 -59.54 -36.17 75.64 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.283 -0.417 . . . . 1.86 110.987 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -68.42 -49.01 63.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.631 -0.258 . . . . 2.45 110.702 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.06 -33.8 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 121.965 0.888 . . . . 1.92 109.568 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.895 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 11.2 tpt -60.31 -39.62 87.63 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 113.257 -1.792 . . . . 1.27 111.959 176.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.535 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 7.9 tm-20 -115.64 -27.7 7.01 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.313 -2.955 . . . . 2.37 109.668 -169.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -34.02 64.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.035 -0.266 . . . . 1.93 110.39 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -91.42 -11.8 36.61 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 112.588 0.588 . . . . 1.87 112.588 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.535 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 16.5 t0 -63.6 94.72 0.09 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.558 1.171 . . . . 1.39 111.84 -171.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.97 -45.64 42.36 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.67 -2.059 . . . . 2.54 113.136 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.71 -0.31 48.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.496 -0.32 . . . . 2.89 111.296 -171.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.84 25.44 6.68 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.576 0.703 . . . . 1.71 110.347 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -117.45 19.62 13.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.047 -0.979 . . . . 1.95 109.372 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.8 48.15 1.94 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.748 -1.114 . . . . 2.22 110.118 -178.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -143.27 140.08 30.47 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.058 -0.974 . . . . 2.32 110.314 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.65 118.6 37.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.482 -0.326 . . . . 1.34 110.38 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.587 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 46.5 t -69.16 158.29 35.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.74 -0.837 . . . . 1.78 108.74 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.778 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 31.9 p90 -53.22 -38.96 63.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.962 0.41 . . . . 3.75 111.341 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 80' ' ' ILE . 11.0 mt-10 -59.89 -31.78 70.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.569 -0.741 . . . . 2.03 111.045 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 75' ' ' SER . 3.5 mp0 -86.05 -37.71 18.6 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.241 0.46 . . . . 3.18 112.241 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.778 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -73.0 -25.98 61.17 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.414 -0.914 . . . . 3.91 109.924 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 77' ' ' GLU . 2.8 tp -67.37 -41.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.398 -0.593 . . . . 2.63 109.398 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.53 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 82.4 mmm -57.58 -31.35 66.07 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.567 -0.288 . . . . 2.19 111.388 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 tm? -64.42 -36.76 85.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.769 -0.826 . . . . 1.99 108.769 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 23.7 mmt -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 1.59 109.98 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' B' ' 80' ' ' ILE . . . -71.16 -37.46 72.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 1.16 110.713 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' MET . 18.5 mtp180 -62.2 -40.18 95.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.43 0.633 . . . . 2.07 109.339 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 57.3 mt -70.53 -25.05 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.716 . . . . 2.16 110.129 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 55.3 m -69.69 -35.29 74.96 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.373 -0.376 . . . . 1.2 110.234 176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 89.8 t90 -65.08 -36.76 85.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.732 -0.84 . . . . 4.33 108.732 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 92' ' ' GLU . . . -71.08 -25.05 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.57 -0.741 . . . . 1.84 110.597 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -79.57 -22.23 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.382 . . . . 2.14 110.464 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -68.62 -32.48 72.39 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.828 -1.175 . . . . 3.9 107.828 169.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.2 mm-40 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.83 174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.697 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 94.4 mtp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 113.654 0.983 . . . . 3.29 113.654 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -75.74 176.98 7.22 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.933 -1.485 . . . . 1.66 111.572 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . 0.436 HE21 ' CG2' ' A' ' 14' ' ' THR . 54.1 tt0 -58.41 -48.55 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 2.52 110.814 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.592 ' O ' HG13 ' B' ' 12' ' ' ILE . 3.2 tm? -62.96 -43.92 97.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.086 -0.961 . . . . 2.42 109.083 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.697 ' OE1' ' HA ' ' B' ' 5' ' ' MET . 7.4 tt0 -63.14 -50.22 71.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.229 -1.351 . . . . 2.28 111.644 -175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.88 -35.11 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 4.16 111.078 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.451 ' O ' HG13 ' B' ' 15' ' ' ILE . 11.5 m120 -67.16 -37.56 83.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.56 . . . . 2.21 110.81 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 8' ' ' LEU . 28.6 mt -62.4 -49.53 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 121.025 0.44 . . . . 1.06 109.973 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.53 -42.55 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 1.95 110.293 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.421 ' CG2' HE21 ' A' ' 7' ' ' GLN . 44.3 m -65.46 -41.67 93.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.785 -0.643 . . . . 0.96 110.746 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.506 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 8.8 mt -63.42 -47.19 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 1.13 110.652 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 12' ' ' ILE . 96.7 mt -56.4 -52.18 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 1.16 111.474 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -69.65 -26.77 64.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.713 0.264 . . . . 2.45 111.713 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.749 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 79.8 m -71.06 -51.7 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.468 -0.493 . . . . 1.41 110.402 176.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -59.55 -42.16 91.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.913 0.387 . . . . 4.47 110.35 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.517 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 8.8 t-80 -70.46 -24.59 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.935 -0.575 . . . . 3.55 111.773 -176.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.749 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.9 pt20 -73.07 -32.4 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.147 -0.686 . . . . 1.64 109.147 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.426 ' HD2' ' O ' ' B' ' 18' ' ' THR . 92.2 m-85 -79.38 -33.21 43.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 2.25 110.992 174.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.54 ' O ' ' HB2' ' B' ' 29' ' ' PRO . 84.9 p -66.74 -41.46 87.79 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.664 0.745 . . . . 1.35 109.241 177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' B' ' 28' ' ' HIS . 4.2 p -75.81 -3.48 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.066 -0.97 . . . . 1.26 112.192 -177.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 27.6 mtpp -58.91 -29.69 67.25 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.776 0.658 . . . . 2.74 112.776 -176.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' B' ' 29' ' ' PRO . 25.1 tp -89.61 12.75 15.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 2.65 111.061 -176.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.73 -96.68 0.23 Allowed Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.365 -0.694 . . . . 1.43 111.365 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.663 ' N ' ' HD3' ' B' ' 29' ' ' PRO . 77.2 m-70 -131.27 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 113.309 0.855 . . . . 4.53 113.309 171.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' B' ' 28' ' ' HIS . 86.4 Cg_exo -56.46 166.15 3.78 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.484 2.122 . . . . 3.25 115.447 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.41 8.94 10.84 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 112.547 -2.115 . . . . 2.56 108.284 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -127.79 149.4 50.28 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.15 -1.386 . . . . 1.92 109.788 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.6 118.54 30.71 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.346 -0.983 . . . . 1.23 108.346 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.513 ' HB2' ' OE2' ' B' ' 36' ' ' GLU . 1.7 m-20 -85.37 168.73 14.37 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.501 -0.925 . . . . 2.74 108.501 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.895 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 29.8 tt0 -51.0 -40.25 57.69 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.528 0.566 . . . . 2.11 112.528 -172.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.51 38.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.813 -0.708 . . . . 0.46 111.934 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.513 ' OE2' ' HB2' ' B' ' 33' ' ' ASN . 5.0 mp0 -66.01 -41.09 91.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.131 -0.534 . . . . 2.01 110.682 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.26 -47.26 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 2.37 110.944 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 94.3 mttt -54.08 -48.19 70.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 1.95 110.597 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.675 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 36.9 tt0 -64.69 -46.73 81.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.845 -0.616 . . . . 1.75 110.818 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 2.07 109.921 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 49.9 t -55.86 -37.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 1.18 110.93 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 79.7 mtt180 -70.42 -29.98 66.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.338 0.866 . . . . 3.84 113.338 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.77 -42.05 4.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.471 1.286 . . . . 2.86 114.471 -173.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.436 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 2.0 p30 -106.75 -25.42 11.74 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.538 1.063 . . . . 1.87 113.051 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 96.1 mt -98.13 1.8 47.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 1.29 110.384 174.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.568 ' O ' ' HA ' ' B' ' 50' ' ' LYS . 15.0 pt20 -53.15 -21.28 4.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 113.305 0.854 . . . . 2.21 113.305 -173.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.476 ' HB3' ' CD ' ' A' ' 9' ' ' GLU . 26.1 t-20 -95.44 -39.19 10.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 2.9 109.913 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HE3' ' A' ' 5' ' ' MET . 2.6 m-30 -73.63 -35.75 65.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.449 0.643 . . . . 2.75 110.544 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.9 26.61 9.87 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.426 -0.806 . . . . 1.36 109.578 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 39.1 ttmt -46.05 -59.69 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.705 -1.134 . . . . 2.81 112.848 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -69.04 -30.73 69.15 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.13 -0.628 . . . . 2.0 110.271 -177.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.426 ' HG3' HG11 ' B' ' 58' ' ' VAL . 16.3 mp0 -65.34 -37.84 88.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 2.13 111.535 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -72.5 -14.93 61.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.965 0.412 . . . . 1.7 111.319 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.35 -8.74 59.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.027 -0.533 . . . . 3.82 110.523 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -122.87 146.01 47.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.502 -0.555 . . . . 1.95 109.502 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 47.6 mt-10 -88.27 -39.9 14.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.549 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.421 ' HA ' ' OE1' ' B' ' 60' ' ' GLU . 27.7 mtpp -63.6 -32.55 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 3.01 111.389 -177.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.426 HG11 ' HG3' ' B' ' 52' ' ' GLU . 43.9 t -65.37 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.957 -0.565 . . . . 1.42 110.357 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.36 -34.91 64.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.55 -0.537 . . . . 1.76 109.55 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 48.4 mt-10 -59.78 -36.29 76.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.268 -0.424 . . . . 1.85 110.974 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -68.31 -48.92 63.64 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.618 -0.264 . . . . 2.45 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.13 -33.83 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.982 0.896 . . . . 1.92 109.545 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.895 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 11.2 tpt -60.3 -39.71 87.9 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.241 -1.8 . . . . 1.26 111.954 176.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.533 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 8.4 tm-20 -115.38 -27.79 7.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 114.285 -2.966 . . . . 2.36 109.646 -169.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.5 -34.11 64.32 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.004 -0.278 . . . . 1.93 110.495 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.66 -11.41 37.08 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.529 0.566 . . . . 1.87 112.529 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.533 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 16.0 t0 -63.92 94.63 0.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.48 1.133 . . . . 1.4 111.799 -171.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.83 -45.69 40.97 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 112.819 -1.991 . . . . 2.54 113.126 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.405 ' N ' HD21 ' B' ' 69' ' ' ASN . 0.9 OUTLIER -96.54 -0.29 49.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.579 -0.282 . . . . 2.89 111.265 -171.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.88 25.49 6.78 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.711 0.632 . . . . 1.71 110.423 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.42 19.93 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 1.95 109.315 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.497 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.65 47.93 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.034 . . . . 2.22 110.168 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -143.14 140.2 30.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.962 -1.017 . . . . 2.32 110.296 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 67' ' ' ASP . 32.3 mt -108.84 118.68 37.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.447 -0.342 . . . . 1.34 110.294 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' SER . . . . . 0.594 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 48.2 t -69.32 158.1 35.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.696 -0.853 . . . . 1.78 108.696 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.781 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 31.9 p90 -52.96 -39.2 62.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.019 0.438 . . . . 3.75 111.322 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' O ' HG22 ' B' ' 80' ' ' ILE . 11.5 mt-10 -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 2.04 111.164 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.594 ' OE1' ' HB3' ' B' ' 75' ' ' SER . 3.8 mp0 -85.97 -37.71 18.72 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 112.242 0.46 . . . . 3.18 112.242 -175.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.781 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -73.02 -25.96 61.14 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.35 -0.94 . . . . 3.91 110.003 176.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.563 HG22 ' O ' ' B' ' 77' ' ' GLU . 2.8 tp -67.38 -41.21 86.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.378 -0.601 . . . . 2.62 109.378 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 82.5 mmm -57.5 -31.36 65.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.489 -0.323 . . . . 2.19 111.422 171.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.7 tm? -64.44 -36.83 85.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.856 -0.794 . . . . 1.99 108.856 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.48 ' HE2' ' HA ' ' B' ' 83' ' ' MET . 23.8 mmt -62.21 -34.55 76.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.027 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 80' ' ' ILE . . . -71.07 -37.51 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 1.15 110.739 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 81' ' ' MET . 18.6 mtp180 -62.16 -40.26 95.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.289 -0.634 . . . . 2.07 109.289 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 57.1 mt -70.41 -25.11 63.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.601 -0.727 . . . . 2.16 110.155 174.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 54.4 m -69.73 -35.19 74.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.335 -0.393 . . . . 1.2 110.173 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.548 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 89.7 t90 -65.08 -36.89 85.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.78 -0.822 . . . . 4.33 108.78 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.83 -25.18 62.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.67 -0.695 . . . . 1.84 110.674 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -79.51 -22.06 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 2.13 110.49 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.95 -32.25 71.7 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.021 -1.103 . . . . 3.9 108.021 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.3 mm-40 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 114.719 -1.128 . . . . 3.29 109.856 174.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.467 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 3.7 ttt . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.367 -0.605 . . . . 3.29 109.367 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' B' ' 44' ' ' ASP . 10.2 t -76.71 174.01 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.207 -0.294 . . . . 1.65 110.207 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.19 -47.28 83.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.173 0.511 . . . . 2.51 110.676 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.834 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -69.33 -38.67 78.28 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.289 -0.869 . . . . 2.42 109.252 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' B' ' 48' ' ' PHE . 25.5 tt0 -59.93 -48.13 82.97 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.737 -0.665 . . . . 2.29 110.34 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -68.77 -35.33 76.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.668 -0.696 . . . . 4.15 111.204 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.834 ' ND2' ' HA ' ' A' ' 8' ' ' LEU . 14.0 p30 -67.25 -35.7 80.08 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.829 -0.349 . . . . 2.22 110.177 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 8' ' ' LEU . 86.5 mt -64.94 -46.12 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 116.401 -0.363 . . . . 1.05 110.11 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.97 -33.59 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 1.95 111.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.8 m -57.92 -40.29 80.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.644 0.735 . . . . 0.96 109.278 174.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' OD1' ' B' ' 11' ' ' ASN . 9.5 mt -64.72 -52.07 59.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.044 -0.98 . . . . 1.12 110.799 174.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 12' ' ' ILE . 79.5 mt -58.65 -41.32 81.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.371 -0.831 . . . . 1.16 111.267 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.77 -40.77 98.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.871 0.367 . . . . 2.45 110.959 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.8 m -70.63 -50.3 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 1.42 110.526 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CE1' ' HE2' ' A' ' 79' ' ' PHE . 11.4 m-30 -55.36 -41.61 72.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.558 0.694 . . . . 4.47 109.338 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.41 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 18.5 t-80 -55.87 -41.63 74.67 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.679 -1.146 . . . . 3.54 112.34 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 18' ' ' THR . 22.4 pt20 -71.19 -32.48 68.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.083 -0.647 . . . . 1.64 110.645 -172.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CE1' HD22 ' A' ' 40' ' ' LEU . 90.9 m-85 -78.86 -32.87 46.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.642 -0.423 . . . . 2.26 110.889 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.628 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 16.6 p -79.63 -34.93 40.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.143 0.497 . . . . 1.35 111.371 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.9 p -68.27 -3.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.756 -0.656 . . . . 1.26 111.265 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.91 -30.81 71.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.647 -0.501 . . . . 2.74 109.647 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 HD22 ' A' ' 33' ' ' ASN . 75.6 mt -89.43 13.62 13.26 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.064 0.764 . . . . 2.65 113.064 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -118.72 5.66 Favored Glycine 0 N--CA 1.46 0.247 0 C-N-CA 120.5 -0.857 . . . . 1.43 111.568 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -58.05 106.02 0.63 Allowed Pre-proline 0 N--CA 1.465 0.307 0 N-CA-C 107.037 -1.468 . . . . 4.53 107.037 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 Cg_endo -77.99 48.29 2.61 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 CA-C-O 117.123 -1.282 . . . . 3.25 114.992 -152.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -71.87 4.27 3.5 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 122.749 2.522 . . . . 2.56 113.498 -153.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -154.98 158.16 38.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.952 0.406 . . . . 1.92 111.88 -170.042 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.65 119.77 40.36 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.013 -1.106 . . . . 1.23 108.013 159.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 33.6 m-20 -79.64 170.76 16.08 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.577 -0.849 . . . . 2.75 110.239 -177.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 50.3 tt0 -51.42 -40.56 59.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 2.11 111.568 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.81 -42.09 39.73 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.237 -0.745 . . . . 0.46 111.237 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 3.8 mp0 -64.54 -39.38 93.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.112 -0.544 . . . . 2.0 110.289 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 71.8 t80 -57.78 -53.36 59.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 2.37 110.623 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.06 97.8 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.821 -0.627 . . . . 1.95 110.669 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.562 ' HG3' ' HZ3' ' A' ' 43' ' ' LYS . 5.9 tp10 -60.82 -45.47 94.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.264 -0.425 . . . . 1.74 110.936 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD22 ' CE1' ' A' ' 22' ' ' TYR . 3.0 tm? -58.81 -53.76 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.43 -0.581 . . . . 2.07 109.43 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.8 t -58.66 -38.48 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.677 -0.692 . . . . 1.18 110.91 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 31.1 ttt180 -65.21 -32.69 74.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.143 -0.935 . . . . 3.84 112.919 -173.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.562 ' HZ3' ' HG3' ' A' ' 39' ' ' GLU . 10.9 mtmm -123.9 -27.04 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.968 -0.693 . . . . 2.86 112.707 -171.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' B' ' 6' ' ' SER . 5.0 m-20 -99.43 -34.26 10.35 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.437 0.637 . . . . 1.88 110.043 -174.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 84.9 mt -100.93 5.8 43.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.962 -1.017 . . . . 1.29 110.796 174.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 10.6 pt20 -49.8 -23.87 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.555 0.946 . . . . 2.21 113.555 -168.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 50' ' ' LYS . 6.5 t30 -103.29 -38.02 7.41 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.411 -0.515 . . . . 2.9 110.492 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' HB2' ' HG3' ' B' ' 9' ' ' GLU . 4.4 t80 -65.49 -36.16 83.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.914 0.864 . . . . 2.75 109.323 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.7 mt -110.93 23.75 13.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.888 -1.051 . . . . 1.36 109.781 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.718 ' HE3' ' O ' ' A' ' 46' ' ' GLN . 2.0 tpmt? -45.2 -56.27 4.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.901 -0.591 . . . . 2.82 111.712 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HD2' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.63 -33.2 73.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.004 -0.544 . . . . 2.0 111.633 -178.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.59 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 16.2 mt-10 -75.72 -32.76 60.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.413 -0.358 . . . . 2.13 110.969 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.595 ' ND2' ' HA ' ' A' ' 46' ' ' GLN . 5.8 m-20 -66.61 -18.62 65.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.7 111.156 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.36 -1.55 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.348 0.594 . . . . 3.82 110.33 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -122.14 147.08 46.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 1.95 109.581 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.9 tp10 -87.42 -51.6 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.08 0.467 . . . . 2.46 110.098 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.25 -30.16 71.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.422 -0.808 . . . . 3.01 112.597 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG11 ' HG2' ' A' ' 52' ' ' GLU . 38.6 t -64.17 -42.66 96.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 1.43 110.431 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.5 mm -70.56 -35.63 62.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 1.76 109.905 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 10.4 mm-40 -61.03 -37.83 83.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.875 -0.602 . . . . 1.86 109.981 176.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -67.05 -49.09 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.283 -0.871 . . . . 2.45 110.646 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 48.6 mt -63.55 -34.5 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.246 0.546 . . . . 1.92 110.143 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.519 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -58.76 -52.45 65.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.742 -1.117 . . . . 1.27 110.764 177.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.52 -29.1 10.89 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 114.947 -2.701 . . . . 2.37 110.003 -165.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.0 -38.23 72.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.483 -0.487 . . . . 1.93 110.268 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 10.7 mp -72.23 -34.41 68.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.599 0.238 . . . . 1.87 111.571 174.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -65.85 92.29 0.16 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.686 0.755 . . . . 1.39 110.581 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.9 m -60.45 -25.22 65.84 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.64 -1.163 . . . . 2.54 111.564 175.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.86 -4.14 56.81 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.749 -0.38 . . . . 2.89 110.188 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.69 34.89 5.51 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.602 0.964 . . . . 1.71 113.602 169.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -116.53 14.82 15.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.382 0.61 . . . . 1.95 110.414 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 65.88 37.73 5.37 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.117 -0.947 . . . . 2.22 109.763 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.452 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 46.8 mt-30 -144.16 140.41 29.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.903 -1.498 . . . . 2.32 108.373 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.519 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 63.2 mt -117.69 116.01 26.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.479 -0.488 . . . . 1.34 110.92 -174.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -69.17 151.64 46.1 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.449 -1.685 . . . . 1.78 106.449 171.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 80' ' ' ILE . 23.0 p90 -48.9 -40.79 31.24 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.81 -0.356 . . . . 3.75 111.671 -175.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.58 ' HA ' HD13 ' A' ' 80' ' ' ILE . 4.3 mp0 -58.95 -36.36 74.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 2.03 111.621 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.67 -38.74 80.6 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.925 0.869 . . . . 3.18 109.66 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 24.0 t80 -76.76 -40.98 46.59 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.498 -0.774 . . . . 3.91 111.589 -173.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -66.55 -30.82 51.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 119.55 -0.86 . . . . 2.63 109.689 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.535 ' N ' HD12 ' A' ' 80' ' ' ILE . 80.6 mtp -54.07 -36.99 63.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.982 -0.554 . . . . 2.19 111.431 167.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 45.2 tp -58.88 -38.92 79.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.108 0.48 . . . . 1.99 109.933 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.584 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -62.7 -20.95 65.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 1.59 111.073 176.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.674 ' HB3' ' CD1' ' B' ' 80' ' ' ILE . . . -75.99 -37.72 58.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.26 0.552 . . . . 1.16 110.152 174.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' A' ' 82' ' ' LEU . 10.7 mtp180 -62.76 -38.72 91.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.29 -0.868 . . . . 2.07 108.771 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 48' ' ' PHE . 35.5 mt -70.74 -30.46 66.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.869 -1.06 . . . . 2.16 109.878 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.452 ' HA ' ' CD1' ' B' ' 16' ' ' ILE . 38.0 m -64.21 -38.15 90.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.483 -0.487 . . . . 1.2 109.866 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.513 ' O ' ' HB3' ' A' ' 91' ' ' HIS . 84.7 t90 -66.23 -36.07 82.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 4.33 110.678 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -47.57 65.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.826 0.346 . . . . 1.84 111.573 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.448 ' HB3' HD12 ' B' ' 16' ' ' ILE . 20.6 t -72.74 -23.85 60.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.972 0.415 . . . . 2.14 110.091 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 10.9 t60 -58.11 -37.58 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.48 -0.563 . . . . 3.9 109.48 172.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 27.7 mm-40 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.206 -0.906 . . . . 3.3 110.793 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.471 ' HG3' ' OE2' ' B' ' 9' ' ' GLU . 3.7 ttt . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 109.415 -0.587 . . . . 3.29 109.415 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' A' ' 44' ' ' ASP . 13.8 t -76.49 174.0 10.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.259 -0.274 . . . . 1.66 110.259 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -58.18 -47.29 83.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.198 0.523 . . . . 2.52 110.592 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.831 ' HA ' ' ND2' ' B' ' 11' ' ' ASN . 0.7 OUTLIER -69.52 -38.72 77.67 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.194 -0.912 . . . . 2.42 109.19 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 25.3 tt0 -59.72 -48.21 82.58 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.751 -0.659 . . . . 2.28 110.449 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.403 ' CG ' ' HB3' ' B' ' 5' ' ' MET . 80.9 mtp180 -68.71 -35.49 77.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.77 . . . . 4.16 111.234 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.831 ' ND2' ' HA ' ' B' ' 8' ' ' LEU . 13.9 p30 -67.01 -35.81 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.115 -0.328 . . . . 2.21 110.115 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 8' ' ' LEU . 86.4 mt -64.87 -46.25 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.396 -0.365 . . . . 1.06 110.122 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.0 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 1.95 111.19 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.2 m -57.95 -40.23 80.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.675 0.75 . . . . 0.96 109.298 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.555 HG12 ' OD1' ' A' ' 11' ' ' ASN . 9.5 mt -64.88 -52.02 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.962 -1.017 . . . . 1.13 110.79 175.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 12' ' ' ILE . 79.3 mt -58.73 -41.17 81.7 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 115.355 -0.838 . . . . 1.16 111.321 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.62 -41.04 98.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 2.45 110.939 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.595 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 21.9 m -70.35 -50.3 40.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 1.41 110.578 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HE2' ' B' ' 79' ' ' PHE . 11.5 m-30 -55.45 -41.5 72.98 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.539 0.685 . . . . 4.47 109.383 176.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.41 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 18.0 t-80 -55.92 -41.63 74.85 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.622 -1.172 . . . . 3.55 112.336 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' B' ' 18' ' ' THR . 22.6 pt20 -71.26 -32.43 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.204 -0.598 . . . . 1.64 110.634 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.53 ' CE1' HD22 ' B' ' 40' ' ' LEU . 90.8 m-85 -78.87 -32.86 46.1 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.68 -0.408 . . . . 2.25 110.987 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.628 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 17.1 p -79.76 -34.63 39.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.11 0.481 . . . . 1.35 111.373 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.561 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -68.56 -3.97 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.749 -0.659 . . . . 1.26 111.292 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.06 -30.68 71.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.684 -0.488 . . . . 2.74 109.684 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.426 HD11 HD22 ' B' ' 33' ' ' ASN . 75.2 mt -89.41 13.35 13.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.986 0.736 . . . . 2.65 112.986 174.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.09 -118.64 5.69 Favored Glycine 0 N--CA 1.461 0.349 0 C-N-CA 120.482 -0.866 . . . . 1.43 111.59 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -58.21 105.79 0.6 Allowed Pre-proline 0 N--CA 1.464 0.254 0 N-CA-C 106.985 -1.487 . . . . 4.53 106.985 166.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' B' ' 23' ' ' SER . 41.2 Cg_endo -77.86 48.02 2.51 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-O 117.131 -1.279 . . . . 3.25 114.981 -152.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.06 4.9 3.06 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 122.718 2.508 . . . . 2.56 113.479 -153.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 74' ' ' LEU . 0.9 OUTLIER -155.26 158.17 38.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.034 0.445 . . . . 1.92 111.922 -170.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -107.7 119.7 40.17 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.038 -1.097 . . . . 1.23 108.038 159.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.446 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 34.2 m-20 -79.64 170.73 16.12 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.486 -0.885 . . . . 2.74 110.247 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.426 ' HA ' ' HE2' ' B' ' 63' ' ' MET . 50.0 tt0 -51.26 -40.76 59.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.895 0.379 . . . . 2.11 111.58 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.67 40.01 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.184 -0.766 . . . . 0.46 111.184 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.446 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.4 mp0 -64.82 -39.29 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.153 -0.524 . . . . 2.01 110.289 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.428 ' CD2' ' HE1' ' B' ' 79' ' ' PHE . 71.2 t80 -57.95 -53.21 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 2.37 110.634 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.04 97.75 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.892 -0.595 . . . . 1.95 110.793 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.573 ' HG3' ' HZ3' ' B' ' 43' ' ' LYS . 5.9 tp10 -60.97 -45.44 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 1.75 110.98 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.53 HD22 ' CE1' ' B' ' 22' ' ' TYR . 3.0 tm? -58.73 -53.75 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.506 -0.553 . . . . 2.07 109.506 178.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 77.1 t -58.69 -38.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 1.18 110.86 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 31.3 ttt180 -65.39 -32.53 74.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.154 -0.93 . . . . 3.84 112.932 -173.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.573 ' HZ3' ' HG3' ' B' ' 39' ' ' GLU . 10.9 mtmm -124.0 -26.97 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.99 -0.684 . . . . 2.86 112.844 -171.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 6' ' ' SER . 5.2 m-20 -99.38 -34.38 10.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.39 0.614 . . . . 1.87 110.149 -174.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 85.1 mt -100.92 5.8 43.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.023 -0.99 . . . . 1.29 110.786 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.711 ' O ' ' HE3' ' B' ' 50' ' ' LYS . 10.5 pt20 -49.81 -24.02 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.555 0.946 . . . . 2.21 113.555 -168.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.437 ' HA ' ' HB2' ' B' ' 50' ' ' LYS . 6.4 t30 -103.41 -37.45 7.61 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.365 -0.534 . . . . 2.9 110.498 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.561 ' HB2' ' HG3' ' A' ' 9' ' ' GLU . 4.6 t80 -65.85 -36.59 83.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.851 0.834 . . . . 2.75 109.168 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.3 mt -110.61 23.87 13.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.865 -1.061 . . . . 1.36 109.886 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.711 ' HE3' ' O ' ' B' ' 46' ' ' GLN . 2.0 tpmt? -45.09 -56.37 4.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.873 -0.603 . . . . 2.81 111.679 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.598 ' HD2' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -61.77 -32.91 73.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 2.0 111.707 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.598 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 15.8 mt-10 -75.99 -32.63 59.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.916 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' B' ' 46' ' ' GLN . 5.9 m-20 -66.47 -19.23 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 1.7 110.965 -178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.04 -1.12 54.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.246 0.546 . . . . 3.82 110.373 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.46 147.2 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.979 -0.555 . . . . 1.95 109.577 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 tp10 -87.5 -51.57 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 2.46 110.188 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.29 -30.35 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 3.01 112.541 -171.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.482 HG11 ' HG2' ' B' ' 52' ' ' GLU . 38.6 t -64.02 -42.69 96.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.207 -0.451 . . . . 1.42 110.46 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.6 mm -70.75 -35.65 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.76 109.918 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 10.1 mm-40 -60.86 -37.79 83.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 1.85 110.052 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -66.98 -49.26 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 2.45 110.533 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 48.1 mt -63.56 -34.33 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 1.92 110.197 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.521 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -58.9 -52.57 65.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.785 -1.098 . . . . 1.26 110.781 177.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.38 -29.08 10.97 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 114.92 -2.712 . . . . 2.36 109.951 -165.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 -38.32 73.01 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.523 -0.471 . . . . 1.93 110.402 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 10.6 mp -72.33 -34.24 67.9 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.583 0.23 . . . . 1.87 111.537 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.79 92.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.725 0.774 . . . . 1.4 110.456 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 m -60.98 -25.07 66.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.6 -1.182 . . . . 2.54 111.531 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -91.05 -4.22 56.53 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.802 -0.359 . . . . 2.89 110.221 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.59 35.16 5.71 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.612 0.967 . . . . 1.71 113.612 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -116.71 14.7 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.408 0.623 . . . . 1.95 110.258 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.786 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.1 OUTLIER 65.91 37.84 5.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.156 -0.929 . . . . 2.22 109.783 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.453 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 47.1 mt-30 -144.07 140.49 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.961 -1.472 . . . . 2.32 108.325 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.521 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 63.3 mt -117.66 116.05 26.29 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.524 -0.471 . . . . 1.34 110.903 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 10.1 t -69.15 151.68 46.07 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.576 -1.639 . . . . 1.78 106.576 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.673 ' O ' HG23 ' B' ' 80' ' ' ILE . 22.8 p90 -48.78 -40.89 30.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.029 0.377 . . . . 3.75 111.648 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.585 ' HA ' HD13 ' B' ' 80' ' ' ILE . 4.1 mp0 -58.95 -36.27 74.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.916 0.388 . . . . 2.04 111.585 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.87 -38.84 79.99 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.888 0.851 . . . . 3.18 109.52 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 24.0 t80 -76.72 -41.1 46.48 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.569 -0.741 . . . . 3.91 111.607 -173.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.674 ' CD1' ' HB3' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -66.29 -30.91 51.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 119.592 -0.843 . . . . 2.62 109.701 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.536 ' N ' HD12 ' B' ' 80' ' ' ILE . 81.9 mtp -54.12 -36.93 63.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 2.19 111.577 167.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 45.0 tp -58.83 -38.98 79.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.99 109.952 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' B' ' 80' ' ' ILE . 0.0 OUTLIER -62.67 -21.02 65.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 1.59 111.015 176.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.679 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -75.8 -37.84 58.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.364 0.602 . . . . 1.15 110.06 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' B' ' 82' ' ' LEU . 10.9 mtp180 -62.74 -38.78 91.87 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.31 -0.859 . . . . 2.07 108.79 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' B' ' 48' ' ' PHE . 35.2 mt -70.67 -30.51 67.12 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.841 -1.072 . . . . 2.16 110.019 174.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' THR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 37.8 m -64.14 -38.15 90.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.445 -0.502 . . . . 1.2 109.843 175.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.511 ' O ' ' HB3' ' B' ' 91' ' ' HIS . 84.2 t90 -66.28 -36.13 82.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 4.33 110.687 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.57 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.882 -0.327 . . . . 1.84 111.531 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.437 ' HB3' HD12 ' A' ' 16' ' ' ILE . 19.0 t -72.71 -23.81 60.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.946 0.403 . . . . 2.13 110.181 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 11.0 t60 -58.15 -37.78 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.432 -0.581 . . . . 3.9 109.432 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 26.4 mm-40 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.099 -0.955 . . . . 3.29 110.72 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtm . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 121.405 0.621 . . . . 3.29 112.349 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -80.78 178.48 8.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.96 -1.018 . . . . 1.65 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.9 tp-100 -56.24 -45.09 80.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.135 -0.32 . . . . 2.51 110.135 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.8 tp -62.84 -45.51 92.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.506 . . . . 2.42 110.966 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.715 ' OE2' ' HB2' ' B' ' 48' ' ' PHE . 1.6 mm-40 -61.2 -50.64 72.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.237 0.542 . . . . 2.29 110.388 -176.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 25.3 mmt180 -60.71 -37.53 82.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.265 -0.879 . . . . 4.15 110.488 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.711 ' ND2' HG13 ' B' ' 15' ' ' ILE . 4.1 t30 -69.62 -44.44 70.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.739 -1.119 . . . . 2.22 110.717 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 8' ' ' LEU . 94.7 mt -61.13 -47.78 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 1.05 110.634 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -63.82 -32.48 74.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 1.95 111.093 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.7 m -58.4 -43.52 88.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 121.086 -0.245 . . . . 0.96 110.872 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.712 HG13 ' ND2' ' B' ' 11' ' ' ASN . 63.2 mt -64.77 -46.29 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.952 0.406 . . . . 1.12 110.438 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 76.5 mt -59.46 -40.49 81.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.588 -0.733 . . . . 1.16 110.671 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 73.1 m-20 -70.1 -31.37 68.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 2.45 112.012 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 45.2 m -69.07 -50.34 49.23 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.386 0.612 . . . . 1.42 109.57 177.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -54.31 -43.45 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.511 -0.768 . . . . 4.47 108.964 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 29' ' ' PRO . 13.4 t-160 -55.28 -51.22 67.38 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.805 -1.089 . . . . 3.54 112.048 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.8 pt20 -66.51 -32.95 74.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.919 0.34 . . . . 1.64 111.919 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CD2' HD22 ' A' ' 40' ' ' LEU . 89.3 m-85 -79.16 -33.53 43.98 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.094 -0.642 . . . . 2.26 111.059 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.639 ' OG ' ' HG ' ' A' ' 32' ' ' LEU . 18.5 m -77.57 -28.55 51.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.472 0.653 . . . . 1.35 110.75 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.616 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.5 p -74.81 -2.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 1.26 111.625 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 82.4 mttt -59.62 -23.91 63.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 120.552 -0.459 . . . . 2.74 110.566 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.582 HD12 ' ND2' ' A' ' 33' ' ' ASN . 5.3 mp -87.66 -19.01 28.29 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.22 0.452 . . . . 2.65 112.22 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.42 141.66 5.19 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 110.703 -0.959 . . . . 1.43 110.703 -170.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 38.77 80.04 0.29 Allowed Pre-proline 0 N--CA 1.481 1.076 0 N-CA-C 108.085 -1.08 . . . . 4.53 108.085 -166.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.616 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 49.6 Cg_endo -74.65 40.51 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.438 0 N-CA-C 116.586 1.726 . . . . 3.25 116.586 -146.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -72.16 7.92 1.51 Allowed 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 123.5 2.864 . . . . 2.56 113.497 -149.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 41.7 p -154.48 147.65 24.78 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.058 0.543 . . . . 1.92 110.918 -166.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.639 ' HG ' ' OG ' ' A' ' 23' ' ' SER . 17.3 mt -105.31 121.01 42.99 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.035 -1.098 . . . . 1.23 108.035 159.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.582 ' ND2' HD12 ' A' ' 26' ' ' LEU . 15.6 m-80 -80.6 176.92 9.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.302 -1.359 . . . . 2.75 109.171 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.684 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 54.3 tt0 -54.78 -42.41 71.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.177 -0.465 . . . . 2.11 111.181 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.82 -40.73 51.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.831 -0.699 . . . . 0.46 112.159 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG3' ' HD2' ' A' ' 25' ' ' LYS . 1.9 mp0 -67.53 -39.39 85.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.541 -0.329 . . . . 2.0 110.709 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CD1' HD13 ' A' ' 74' ' ' LEU . 54.4 t80 -65.52 -43.75 89.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 2.37 110.9 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.684 ' HD3' ' O ' ' A' ' 34' ' ' GLN . 2.7 mptm? -53.6 -43.42 68.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.737 -0.468 . . . . 1.95 109.737 175.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.32 -45.09 85.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.363 -0.835 . . . . 1.74 111.273 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 22' ' ' TYR . 2.7 tm? -59.31 -46.89 87.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.717 -0.475 . . . . 2.07 109.717 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 85.3 t -58.52 -36.39 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.965 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.697 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 12.2 mmm180 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.567 0.58 . . . . 3.84 112.567 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -103.0 -45.67 4.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.712 1.004 . . . . 2.86 113.712 -169.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -43.56 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.737 -0.785 . . . . 1.88 111.222 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.612 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 75.9 mt -80.35 3.52 20.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.259 0.552 . . . . 1.29 111.055 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.526 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 8.7 pt20 -51.62 -22.32 3.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.263 -0.88 . . . . 2.21 112.051 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -100.61 -50.65 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 2.9 110.975 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.723 ' HB2' ' OE2' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.77 -32.33 69.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.458 0.647 . . . . 2.75 109.743 -174.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.1 mt -110.17 21.48 16.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.625 -0.716 . . . . 1.36 111.369 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.03 -41.34 34.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.876 0.695 . . . . 2.82 112.876 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -63.02 -39.47 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.481 0.658 . . . . 2.0 110.326 -178.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 29.9 tt0 -74.16 -32.7 63.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.079 -0.964 . . . . 2.13 110.232 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.697 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 24.3 t-20 -62.18 -21.46 65.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.872 -1.058 . . . . 1.7 111.383 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 14.7 tmtt? -82.51 -16.76 47.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.732 -0.667 . . . . 3.82 110.863 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -125.96 145.9 50.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.937 -0.394 . . . . 1.95 109.937 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 36.4 tt0 -82.04 -41.29 20.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.871 0.367 . . . . 2.46 110.497 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.69 -32.4 72.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 3.01 111.958 -171.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 6.4 t -67.86 -39.72 82.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.183 0.516 . . . . 1.43 109.702 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.89 -34.46 64.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.425 -0.807 . . . . 1.76 110.386 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HG2' ' CE ' ' A' ' 38' ' ' LYS . 8.7 mt-10 -65.05 -34.55 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 1.86 110.433 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.61 -47.81 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.562 -0.533 . . . . 2.45 109.562 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 47.8 mm -62.67 -33.98 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.435 0.636 . . . . 1.92 110.557 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 13.4 tpt -59.23 -49.26 78.52 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 114.594 -1.184 . . . . 1.27 111.74 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 tm-20 -107.72 -28.54 9.64 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 114.656 -2.818 . . . . 2.37 109.265 -166.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.94 -34.15 65.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.547 -0.461 . . . . 1.93 110.069 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 7.6 mp -93.54 -12.18 30.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.67 0.619 . . . . 1.87 112.67 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 21.0 t0 -62.46 84.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.292 1.044 . . . . 1.39 110.266 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -65.99 -33.9 76.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.493 -1.685 . . . . 2.54 112.129 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.31 -2.31 58.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.437 0.637 . . . . 2.89 109.591 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.37 23.92 7.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.809 -1.087 . . . . 1.71 113.667 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.1 22.87 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.191 -0.318 . . . . 1.95 111.205 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 66.32 43.31 2.75 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.629 0.728 . . . . 2.22 110.204 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -144.67 140.07 28.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.689 -1.141 . . . . 2.32 108.803 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.578 ' HB3' ' CD ' ' A' ' 78' ' ' GLU . 16.0 mt -111.92 116.84 31.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.183 0.516 . . . . 1.34 111.227 -174.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 25.3 t -97.29 150.14 21.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.825 -1.176 . . . . 1.78 107.825 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.514 ' O ' HG22 ' A' ' 80' ' ' ILE . 17.9 t80 -45.6 -34.28 3.3 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.825 1.046 . . . . 3.75 113.825 -169.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' A' ' 80' ' ' ILE . 2.2 mp0 -56.58 -28.21 59.75 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.954 0.883 . . . . 2.03 109.962 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.578 ' CD ' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.02 -44.58 79.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.489 0.661 . . . . 3.18 109.833 172.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.529 ' O ' ' HG2' ' A' ' 83' ' ' MET . 16.4 t80 -70.51 -29.08 65.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.887 -1.051 . . . . 3.91 110.308 -173.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.808 HG12 ' O ' ' A' ' 77' ' ' GLU . 5.9 pt -64.93 -45.76 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.021 -0.733 . . . . 2.63 109.021 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.604 ' SD ' ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -52.46 -38.12 58.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.119 0.485 . . . . 2.19 110.206 172.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.91 -36.48 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 1.99 110.245 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 33.1 mmt -59.69 -29.85 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 1.59 110.27 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB1' HG21 ' B' ' 80' ' ' ILE . . . -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.144 0.497 . . . . 1.16 110.48 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.604 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 14.5 mtp180 -67.78 -37.2 81.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.781 -0.645 . . . . 2.07 109.618 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.12 -28.01 66.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.752 -0.658 . . . . 2.16 109.749 172.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 28.4 m -69.84 -28.37 65.62 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.166 -0.47 . . . . 1.2 110.841 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -68.78 -37.02 79.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.605 0.717 . . . . 4.33 109.229 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.584 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 1.84 110.072 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -86.59 -2.08 58.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.983 -0.553 . . . . 2.14 110.057 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -84.63 -33.05 23.38 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.183 -1.043 . . . . 3.9 108.183 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.925 -1.034 . . . . 3.3 110.535 170.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtm . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.454 0.645 . . . . 3.29 112.322 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -80.77 178.42 8.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.842 -1.072 . . . . 1.66 109.58 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp-100 -56.45 -44.96 81.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.096 -0.335 . . . . 2.52 110.096 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.539 ' O ' HG13 ' B' ' 12' ' ' ILE . 22.8 tp -62.92 -45.32 93.05 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.21 -0.45 . . . . 2.42 111.018 -178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.723 ' OE2' ' HB2' ' A' ' 48' ' ' PHE . 1.6 mm-40 -61.28 -50.58 72.45 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.234 0.54 . . . . 2.28 110.484 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 25.3 mmt180 -60.68 -37.61 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 4.16 110.407 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.712 ' ND2' HG13 ' A' ' 15' ' ' ILE . 4.3 t30 -69.55 -44.48 70.84 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.692 -1.14 . . . . 2.21 110.743 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.539 HG13 ' O ' ' B' ' 8' ' ' LEU . 94.1 mt -61.21 -47.69 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 1.06 110.662 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -63.76 -32.59 74.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.091 -0.504 . . . . 1.95 111.081 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 93.9 m -58.34 -43.49 88.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.7 0.286 . . . . 0.96 110.978 176.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.711 HG13 ' ND2' ' A' ' 11' ' ' ASN . 63.3 mt -64.91 -46.08 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.949 0.404 . . . . 1.13 110.406 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 76.0 mt -59.49 -40.64 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.539 -0.755 . . . . 1.16 110.561 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 73.5 m-20 -70.16 -31.29 68.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.277 -0.42 . . . . 2.45 112.032 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 38.8 m -68.89 -50.47 49.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.457 0.646 . . . . 1.41 109.645 177.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.23 -43.38 70.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.418 -0.81 . . . . 4.47 109.035 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.585 ' CD2' ' HG3' ' B' ' 29' ' ' PRO . 13.4 t-160 -55.47 -51.26 67.53 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.722 -1.126 . . . . 3.55 112.039 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.8 pt20 -66.41 -32.79 74.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.918 0.34 . . . . 1.64 111.918 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.536 ' CD2' HD22 ' B' ' 40' ' ' LEU . 89.3 m-85 -79.28 -33.48 43.35 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.116 -0.634 . . . . 2.25 111.081 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.632 ' OG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 m -77.72 -28.46 50.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.513 0.673 . . . . 1.35 110.776 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.625 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -75.0 -2.35 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-N 115.571 -0.74 . . . . 1.26 111.658 -175.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.518 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 82.2 mttt -59.76 -24.18 63.85 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.655 -0.418 . . . . 2.74 110.468 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.59 HD12 ' ND2' ' B' ' 33' ' ' ASN . 5.3 mp -87.56 -19.23 28.13 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.237 0.458 . . . . 2.65 112.237 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.68 141.69 5.37 Favored Glycine 0 N--CA 1.461 0.361 0 CA-C-O 118.822 -0.988 . . . . 1.43 110.735 -170.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 38.75 79.87 0.3 Allowed Pre-proline 0 N--CA 1.479 0.99 0 N-CA-C 108.071 -1.085 . . . . 4.53 108.071 -166.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.625 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 50.3 Cg_endo -74.58 40.53 0.63 Allowed 'Trans proline' 0 CA--C 1.515 -0.439 0 N-CA-C 116.562 1.716 . . . . 3.25 116.562 -145.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -72.11 7.87 1.51 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 123.515 2.871 . . . . 2.56 113.46 -149.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' PRO . 43.1 p -154.42 147.49 24.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.146 0.579 . . . . 1.92 111.008 -165.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.632 ' HG ' ' OG ' ' B' ' 23' ' ' SER . 17.3 mt -105.3 121.03 43.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.97 -1.122 . . . . 1.23 107.97 159.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.59 ' ND2' HD12 ' B' ' 26' ' ' LEU . 14.3 m-80 -80.62 176.92 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.373 -1.331 . . . . 2.74 109.088 175.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.691 ' O ' ' HD3' ' B' ' 38' ' ' LYS . 54.9 tt0 -55.0 -42.32 72.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.147 -0.479 . . . . 2.11 111.072 -174.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.78 -40.83 51.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.928 -0.653 . . . . 0.46 112.17 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.518 ' HG3' ' HD2' ' B' ' 25' ' ' LYS . 2.0 mp0 -67.53 -39.39 85.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.323 . . . . 2.01 110.733 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' HD13 ' B' ' 74' ' ' LEU . 54.2 t80 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 2.37 110.933 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.691 ' HD3' ' O ' ' B' ' 34' ' ' GLN . 2.7 mptm? -53.69 -43.24 68.76 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.781 -0.452 . . . . 1.95 109.781 175.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.47 -44.84 85.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.4 -0.818 . . . . 1.75 111.399 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' B' ' 22' ' ' TYR . 2.7 tm? -59.59 -46.77 87.95 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.615 -0.513 . . . . 2.07 109.615 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.551 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 84.6 t -58.61 -36.48 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 1.18 110.873 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.681 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 12.1 mmm180 -74.64 -31.33 61.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 112.537 0.569 . . . . 3.84 112.537 -173.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.78 -45.68 4.93 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.66 0.985 . . . . 2.86 113.66 -169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.61 -43.42 6.84 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.714 -0.795 . . . . 1.87 111.29 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.616 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 75.8 mt -80.41 3.51 21.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.696 0.623 . . . . 1.29 111.05 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.524 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 8.8 pt20 -51.53 -22.41 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.302 -0.863 . . . . 2.21 111.993 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -100.61 -50.62 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 2.9 110.978 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.715 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -70.74 -32.2 69.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.489 0.661 . . . . 2.75 109.812 -174.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 70.1 mt -110.33 21.47 16.66 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.578 -0.737 . . . . 1.36 111.389 176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.13 -41.07 34.92 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.843 0.683 . . . . 2.81 112.843 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.531 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -63.04 -39.93 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.637 . . . . 2.0 110.279 -179.179 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 30.5 tt0 -73.95 -32.39 63.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.168 -0.923 . . . . 2.13 110.19 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.681 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 24.3 t-20 -62.24 -21.69 65.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.92 -1.036 . . . . 1.7 111.437 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' B' ' 54' ' ' LYS . 14.8 tmtt? -82.33 -17.18 46.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 3.82 110.784 -173.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.54 146.15 49.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.879 -0.415 . . . . 1.95 109.879 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 36.6 tt0 -82.37 -41.43 19.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.846 0.355 . . . . 2.46 110.469 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.66 -32.35 72.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.671 . . . . 3.01 111.95 -171.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 6.2 t -67.86 -39.64 82.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.256 0.55 . . . . 1.42 109.729 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.04 -34.3 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 1.76 110.384 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.506 ' HG2' ' CE ' ' B' ' 38' ' ' LYS . 8.4 mt-10 -65.11 -34.74 79.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 1.85 110.483 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.45 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.617 -0.512 . . . . 2.45 109.617 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 47.7 mm -62.74 -33.8 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.877 -0.601 . . . . 1.92 110.648 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 13.4 tpt -59.42 -49.28 78.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.612 -1.177 . . . . 1.26 111.663 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 6.4 tm-20 -107.63 -28.64 9.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 114.71 -2.796 . . . . 2.36 109.387 -166.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.09 -33.87 65.48 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.628 -0.429 . . . . 1.93 110.13 170.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 7.6 mp -93.58 -12.14 30.21 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.747 0.647 . . . . 1.87 112.747 175.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.3 t0 -62.5 84.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 122.188 0.994 . . . . 1.4 110.449 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.8 t -65.6 -33.85 76.86 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.65 -1.614 . . . . 2.54 112.105 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -88.35 -2.29 58.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.453 0.644 . . . . 2.89 109.664 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.49 24.01 8.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.65 -1.159 . . . . 1.71 113.605 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.19 22.93 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.086 -0.245 . . . . 1.95 111.206 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.524 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 66.23 43.32 2.83 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.628 0.727 . . . . 2.22 110.298 -179.628 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.74 140.12 28.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.631 -1.168 . . . . 2.32 108.797 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.572 ' HB3' ' CD ' ' B' ' 78' ' ' GLU . 16.1 mt -111.87 116.99 31.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.23 0.538 . . . . 1.34 111.327 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' B' ' 78' ' ' GLU . 25.4 t -97.43 150.06 21.45 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.911 -1.144 . . . . 1.78 107.911 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.502 ' O ' HG22 ' B' ' 80' ' ' ILE . 17.7 t80 -45.63 -34.14 3.28 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.916 1.08 . . . . 3.75 113.916 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' B' ' 80' ' ' ILE . 2.2 mp0 -56.6 -28.4 60.26 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 122.029 0.919 . . . . 2.04 109.983 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.572 ' CD ' ' HB3' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -66.74 -44.56 81.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.609 0.718 . . . . 3.18 109.938 172.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.532 ' O ' ' HG2' ' B' ' 83' ' ' MET . 16.3 t80 -70.61 -29.02 65.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.817 -1.083 . . . . 3.91 110.4 -173.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.808 HG12 ' O ' ' B' ' 77' ' ' GLU . 5.9 pt -64.91 -45.97 93.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.954 -0.758 . . . . 2.62 108.954 175.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.598 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -52.23 -38.15 57.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.061 0.458 . . . . 2.19 110.223 172.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.94 -36.42 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 1.99 110.259 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 33.1 mmt -59.73 -29.85 68.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 1.59 110.272 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -74.76 -38.87 62.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.211 0.529 . . . . 1.15 110.563 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.598 ' HD2' ' SD ' ' B' ' 81' ' ' MET . 14.6 mtp180 -67.98 -37.0 80.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.66 -0.7 . . . . 2.07 109.637 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.28 -28.0 65.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 2.16 109.714 172.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 28.0 m -69.88 -28.36 65.58 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.236 -0.438 . . . . 1.2 110.868 174.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -68.68 -37.1 79.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.595 0.712 . . . . 4.33 109.293 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.865 0.841 . . . . 1.84 110.144 174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -86.5 -2.22 58.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.763 -0.653 . . . . 2.13 109.955 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -84.47 -33.11 23.68 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.241 -1.022 . . . . 3.9 108.241 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 114.905 -1.043 . . . . 3.29 110.527 170.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtm . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.238 0.542 . . . . 3.29 110.754 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.59 176.48 9.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.884 -1.053 . . . . 1.65 110.704 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.26 -45.55 83.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.169 0.509 . . . . 2.51 109.953 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' A' ' 12' ' ' ILE . 24.9 tp -64.63 -44.39 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.047 -0.979 . . . . 2.42 111.118 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 55.6 mt-10 -66.31 -51.48 56.91 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.078 0.77 . . . . 2.29 113.078 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.5 -34.2 73.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.282 0.563 . . . . 4.15 109.743 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.617 ' OD1' HG13 ' B' ' 15' ' ' ILE . 12.5 t-20 -64.04 -50.15 69.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.161 -0.927 . . . . 2.22 110.194 177.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 8' ' ' LEU . 82.3 mt -59.94 -40.39 82.83 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.079 -0.509 . . . . 1.05 110.325 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -60.38 -35.34 75.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 1.95 110.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.3 m -62.67 -45.87 90.8 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.127 0.489 . . . . 0.96 110.355 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.613 HG13 ' OD1' ' B' ' 11' ' ' ASN . 31.1 mt -63.01 -48.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 1.12 111.01 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.26 -42.77 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.763 -0.653 . . . . 1.16 110.702 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.12 -45.32 92.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.665 -0.698 . . . . 2.45 110.924 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.62 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.5 m -62.15 -50.37 72.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 1.42 111.106 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 9.9 m-30 -57.65 -41.81 82.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.083 0.468 . . . . 4.47 110.254 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.632 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 16.6 m80 -70.82 -37.76 73.23 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.653 -0.703 . . . . 3.54 112.786 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 18' ' ' THR . 28.3 pt20 -64.24 -33.38 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.493 -0.483 . . . . 1.64 110.624 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.501 ' HD1' ' O ' ' A' ' 18' ' ' THR . 76.3 m-85 -79.18 -34.22 43.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.963 -0.295 . . . . 2.26 111.433 175.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.632 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 4.0 p -78.14 -33.91 50.16 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.378 0.609 . . . . 1.35 111.443 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.69 -5.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 1.26 110.348 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 97.7 mttt -62.47 -24.36 67.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.995 -0.548 . . . . 2.74 110.677 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.49 8.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 2.65 110.469 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.6 -28.01 8.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.776 -0.726 . . . . 1.43 113.65 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.536 ' H ' ' CD ' ' A' ' 29' ' ' PRO . 74.4 t60 176.98 -30.44 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.124 0.787 . . . . 4.53 113.124 -171.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' CD ' ' H ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -52.46 155.24 10.17 Favored 'Trans proline' 0 CA--C 1.446 -3.889 0 C-N-CA 124.211 3.274 . . . . 3.25 116.857 -169.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 13.34 24.02 Favored 'General case' 0 C--N 1.247 -3.857 0 O-C-N 120.31 -1.494 . . . . 2.56 109.887 -173.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.554 ' HB ' ' HB3' ' A' ' 73' ' ' GLN . 42.2 p -126.51 139.82 52.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.956 -1.02 . . . . 1.92 111.511 -163.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.531 ' O ' ' HE3' ' A' ' 63' ' ' MET . 89.9 mt -90.65 120.04 31.39 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.137 -0.938 . . . . 1.23 109.052 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' HG2' ' A' ' 73' ' ' GLN . 26.0 t-20 -81.72 174.99 10.83 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.5 -0.926 . . . . 2.75 108.5 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -48.92 -44.51 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.973 0.509 . . . . 2.11 112.054 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -43.82 72.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.936 -0.649 . . . . 0.46 112.648 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 21.8 mm-40 -69.96 -36.1 74.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.605 0.24 . . . . 2.0 111.289 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CD2' HD12 ' A' ' 74' ' ' LEU . 88.2 t80 -60.11 -52.48 65.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.948 0.404 . . . . 2.37 110.296 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 26.4 mtpp -55.9 -39.29 71.38 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.46 -0.791 . . . . 1.95 110.288 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 tp10 -65.1 -45.82 83.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.766 0.666 . . . . 1.74 110.868 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.93 -54.05 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.707 -0.479 . . . . 2.07 109.707 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.594 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 96.9 t -57.22 -36.28 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 1.18 110.744 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 41.6 ttm180 -67.64 -33.54 75.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.262 -0.881 . . . . 3.84 112.686 -170.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 17.1 ptpt -128.67 -15.82 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.606 0.965 . . . . 2.86 113.606 -172.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 3.2 m-20 -108.23 -32.56 7.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.347 -0.541 . . . . 1.88 111.875 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 89.6 mt -101.98 5.63 40.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.239 0.616 . . . . 1.29 110.895 174.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -50.4 -22.11 1.72 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.758 1.021 . . . . 2.21 113.758 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -103.93 -49.05 3.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.033 0.444 . . . . 2.9 110.017 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -65.03 -36.35 84.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.642 0.734 . . . . 2.75 109.592 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 mt -110.06 24.96 12.33 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.435 -0.802 . . . . 1.36 110.323 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.73 -43.21 17.79 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.186 0.439 . . . . 2.82 112.186 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -63.64 -38.28 90.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.387 0.613 . . . . 2.0 110.468 -179.192 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.38 -32.92 64.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.998 -1.001 . . . . 2.13 109.997 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.36 -16.58 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 1.7 110.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.11 -15.31 51.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.425 -0.807 . . . . 3.82 110.966 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -132.35 145.18 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 1.95 110.202 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -76.11 -45.61 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 2.46 111.103 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -25.99 67.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 3.01 112.162 -169.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.32 -40.75 73.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 1.43 109.816 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.2 mt -63.77 -38.39 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.436 -0.802 . . . . 1.76 109.934 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.6 mm-40 -59.76 -38.67 82.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.829 -0.623 . . . . 1.86 110.632 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -66.17 -49.2 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 2.45 110.518 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.97 -34.36 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 1.92 110.115 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.531 ' HE3' ' O ' ' A' ' 32' ' ' LEU . 12.1 tpt -58.11 -53.46 58.03 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 114.172 -1.376 . . . . 1.27 111.974 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -105.32 -26.85 11.83 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 114.792 -2.763 . . . . 2.37 108.937 -162.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.06 -35.97 67.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.464 -0.335 . . . . 1.93 110.815 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.558 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 62.2 mt -78.57 -24.68 45.4 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.591 0.589 . . . . 1.87 112.591 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 70' ' ' ALA . 9.9 t70 -65.34 76.99 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.507 1.146 . . . . 1.39 110.231 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 m -70.5 -24.35 62.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.799 -1.546 . . . . 2.54 110.927 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.58 -1.5 57.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.172 0.511 . . . . 2.89 109.635 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . . . 53.1 36.84 23.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.469 -1.241 . . . . 1.71 111.458 173.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -116.3 7.81 14.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 1.95 110.411 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.16 29.1 14.08 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.867 0.841 . . . . 2.22 109.339 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 29.2 mt-30 -143.06 139.27 30.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.16 -1.382 . . . . 2.32 108.973 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' THR . 45.8 mt -106.86 115.69 30.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.063 0.458 . . . . 1.34 111.05 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 31' ' ' THR . 94.6 p -79.55 172.01 14.37 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.28 -0.873 . . . . 1.78 110.245 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.669 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 7.0 p90 -51.89 -40.75 61.18 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.494 -0.321 . . . . 3.75 111.237 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 28.1 mm-40 -65.17 -45.58 84.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.992 0.425 . . . . 2.03 111.706 -178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.38 -44.48 51.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.453 0.644 . . . . 3.18 110.724 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 31.0 t80 -71.98 -29.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 3.91 110.827 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.669 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 2.5 tp -66.15 -38.19 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.263 -0.643 . . . . 2.63 109.263 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.576 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 25.9 ttt -54.42 -36.68 64.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.974 -0.557 . . . . 2.19 110.482 172.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 38.3 tp -60.54 -42.22 96.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.934 0.397 . . . . 1.99 110.243 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 25.6 mmt -61.51 -27.57 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.682 -0.69 . . . . 1.59 110.169 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . . . -78.18 -42.55 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 1.16 110.671 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 81' ' ' MET . 33.8 mtp180 -59.32 -36.53 75.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.629 0.728 . . . . 2.07 109.227 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.97 -33.45 61.9 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.05 -0.977 . . . . 2.16 109.984 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 m -65.19 -37.54 87.64 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.371 0.605 . . . . 1.2 109.854 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.669 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.1 t90 -65.45 -39.06 91.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.436 -0.802 . . . . 4.33 109.496 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.86 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.96 0.41 . . . . 1.84 110.851 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m -68.01 -37.85 81.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.078 -0.51 . . . . 2.14 110.819 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -81.18 -16.9 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.094 -0.642 . . . . 3.9 109.813 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 52.5 mm-40 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 3.3 110.699 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.6 mtm . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.294 0.568 . . . . 3.29 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 176.49 9.38 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.904 -1.044 . . . . 1.66 110.687 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -57.43 -45.64 84.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.256 0.551 . . . . 2.52 109.894 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 12' ' ' ILE . 24.8 tp -64.38 -44.47 91.26 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.079 -0.964 . . . . 2.42 111.166 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 55.9 mt-10 -66.29 -51.36 58.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.035 0.754 . . . . 2.28 113.035 -172.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -60.44 -34.48 74.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.205 0.526 . . . . 4.16 109.731 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.613 ' OD1' HG13 ' A' ' 15' ' ' ILE . 12.3 t-20 -63.88 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.067 -0.969 . . . . 2.21 110.186 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 8' ' ' LEU . 81.9 mt -59.8 -40.5 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.955 -0.566 . . . . 1.06 110.33 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.43 -35.41 75.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.292 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -62.57 -46.14 89.7 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.008 0.432 . . . . 0.96 110.252 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.617 HG13 ' OD1' ' A' ' 11' ' ' ASN . 31.3 mt -62.55 -48.5 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.905 -0.589 . . . . 1.13 111.046 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.25 -42.52 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 1.16 110.743 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -63.32 -45.54 90.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 2.45 110.885 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.62 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 m -61.89 -50.66 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 1.41 111.166 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.424 ' CZ ' HG23 ' B' ' 15' ' ' ILE . 9.9 m-30 -57.19 -42.31 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 4.47 110.231 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.613 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 16.1 m80 -70.29 -37.92 74.91 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.674 -0.694 . . . . 3.55 112.764 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' B' ' 18' ' ' THR . 28.4 pt20 -64.24 -33.31 75.53 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.589 -0.444 . . . . 1.64 110.577 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.507 ' HD1' ' O ' ' B' ' 18' ' ' THR . 77.3 m-85 -79.23 -34.12 43.03 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.5 -0.318 . . . . 2.25 111.468 175.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.613 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 3.9 p -78.61 -33.64 47.3 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.309 0.576 . . . . 1.35 111.318 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.24 -5.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.704 -0.68 . . . . 1.26 110.2 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 97.3 mttt -62.56 -24.13 67.36 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.03 -0.532 . . . . 2.74 110.612 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.42 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 2.65 110.316 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.66 -29.22 7.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.976 -0.631 . . . . 1.43 113.368 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.556 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 73.5 t60 179.59 -33.69 0.0 OUTLIER Pre-proline 0 CA--C 1.575 1.942 0 N-CA-C 113.524 0.935 . . . . 4.53 113.524 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' B' ' 28' ' ' HIS . 3.9 Cg_exo -45.27 155.3 0.4 Allowed 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 125.236 3.957 . . . . 3.25 115.83 -172.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.43 11.31 28.85 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.742 -1.117 . . . . 2.56 110.193 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.535 HG23 ' CA ' ' B' ' 75' ' ' SER . 46.6 p -126.84 142.13 51.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.968 -1.015 . . . . 1.92 111.778 -163.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.558 ' O ' ' HE3' ' B' ' 63' ' ' MET . 86.3 mt -92.2 119.83 32.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.121 -0.945 . . . . 1.23 109.156 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' HG2' ' B' ' 73' ' ' GLN . 26.2 t-20 -81.64 174.22 11.59 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.471 -0.937 . . . . 2.74 108.471 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.64 -44.09 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.842 0.457 . . . . 2.11 111.873 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 -43.29 69.39 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.336 -0.935 . . . . 0.46 112.446 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.416 ' OE1' ' HD2' ' B' ' 25' ' ' LYS . 20.6 mm-40 -70.13 -36.22 74.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.656 0.265 . . . . 2.01 111.185 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.456 ' CD2' HD12 ' B' ' 74' ' ' LEU . 88.1 t80 -59.88 -52.62 64.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 2.37 110.343 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 26.4 mtpp -55.85 -39.15 71.05 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.395 -0.821 . . . . 1.95 110.369 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 5.6 tp10 -65.18 -45.9 83.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.756 0.66 . . . . 1.75 110.754 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.99 -53.89 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 2.07 109.722 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.583 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 97.0 t -57.27 -36.35 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.472 0.653 . . . . 1.18 110.767 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.603 ' HB2' ' O ' ' B' ' 38' ' ' LYS . 41.6 ttm180 -67.67 -33.35 74.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.122 -0.944 . . . . 3.84 112.723 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 17.1 ptpt -128.79 -15.74 4.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.589 0.959 . . . . 2.86 113.589 -172.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 3.3 m-20 -108.44 -32.43 7.43 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.32 -0.552 . . . . 1.87 111.95 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 89.6 mt -101.96 5.75 40.93 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.252 0.621 . . . . 1.29 110.864 174.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' B' ' 50' ' ' LYS . 12.4 pt20 -50.54 -22.25 1.89 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.644 0.979 . . . . 2.21 113.644 -174.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -103.77 -49.06 3.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.948 0.404 . . . . 2.9 109.964 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -65.01 -36.19 83.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.63 0.729 . . . . 2.75 109.637 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.23 25.03 12.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.416 -0.811 . . . . 1.36 110.267 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 17.0 ptpt -46.76 -43.36 18.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.212 0.449 . . . . 2.81 112.212 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.518 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -63.27 -38.33 90.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.501 0.667 . . . . 2.0 110.573 -179.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.42 -33.01 64.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.983 -1.008 . . . . 2.13 109.95 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.36 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.715 0.769 . . . . 1.7 110.072 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -82.96 -15.67 50.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.447 -0.797 . . . . 3.82 110.928 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -132.08 145.07 51.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 1.95 110.184 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 42.2 mt-10 -75.97 -45.63 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.088 0.47 . . . . 2.46 111.123 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -26.05 67.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.448 -0.796 . . . . 3.01 112.138 -169.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.32 -40.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.733 -0.469 . . . . 1.42 109.733 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -38.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.425 -0.807 . . . . 1.76 109.955 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 25.9 mm-40 -59.55 -38.72 81.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.658 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -66.16 -49.23 68.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 2.45 110.556 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.83 -34.47 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.426 0.631 . . . . 1.92 110.135 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.558 ' HE3' ' O ' ' B' ' 32' ' ' LEU . 12.0 tpt -58.11 -53.46 58.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.233 -1.349 . . . . 1.26 111.957 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -105.24 -26.9 11.85 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 114.779 -2.769 . . . . 2.36 108.864 -162.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.0 -35.84 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.002 -0.279 . . . . 1.93 110.911 169.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 61.6 mt -78.64 -24.91 44.99 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.564 0.579 . . . . 1.87 112.564 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.42 ' OD1' ' HA ' ' B' ' 70' ' ' ALA . 9.7 t70 -65.13 76.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.503 1.144 . . . . 1.4 110.344 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -70.25 -24.61 63.1 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.845 -1.525 . . . . 2.54 110.847 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.33 -1.58 57.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.233 0.54 . . . . 2.89 109.633 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.42 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . . . 53.32 36.58 23.22 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 114.55 -1.205 . . . . 1.71 111.468 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.22 8.12 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.729 -0.669 . . . . 1.95 110.392 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.9 29.31 14.56 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.773 0.797 . . . . 2.22 109.399 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' B' ' 31' ' ' THR . 29.3 mt-30 -143.25 139.14 30.07 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.252 -1.34 . . . . 2.32 108.983 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 31' ' ' THR . 45.2 mt -107.03 115.28 29.91 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.146 0.498 . . . . 1.34 110.988 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' SER . . . . . 0.535 ' CA ' HG23 ' B' ' 31' ' ' THR . 95.0 p -79.09 172.22 14.11 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.279 -0.873 . . . . 1.78 110.215 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.661 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 6.8 p90 -52.23 -40.61 61.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.617 -0.265 . . . . 3.75 111.187 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' B' ' 76' ' ' PHE . 28.6 mm-40 -65.13 -45.6 84.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 2.04 111.768 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.37 -44.57 51.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.297 0.57 . . . . 3.18 110.672 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 30.7 t80 -71.86 -30.0 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.312 -0.404 . . . . 3.91 110.802 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.661 ' HB ' ' O ' ' B' ' 76' ' ' PHE . 2.4 tp -66.13 -38.02 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.369 -0.604 . . . . 2.62 109.369 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 25.8 ttt -54.76 -36.32 64.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.436 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' B' ' 66' ' ' LEU . 37.8 tp -60.76 -42.18 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 1.99 110.217 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.492 ' HA ' ' HE1' ' B' ' 83' ' ' MET . 25.5 mmt -61.74 -27.39 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 1.59 110.089 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.506 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . . . -78.27 -42.57 30.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 1.15 110.695 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' B' ' 81' ' ' MET . 33.4 mtp180 -59.3 -36.6 75.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.603 0.716 . . . . 2.07 109.227 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.84 -33.26 62.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.913 -1.04 . . . . 2.16 110.135 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -65.3 -37.51 87.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.276 0.56 . . . . 1.2 109.745 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.661 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t90 -65.49 -39.14 91.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.551 -0.75 . . . . 4.33 109.545 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.16 80.2 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.25 -0.432 . . . . 1.84 110.869 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.1 m -67.99 -37.99 82.14 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.105 -0.498 . . . . 2.13 110.742 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -80.86 -17.32 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.183 -0.607 . . . . 3.9 109.758 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 48.3 mm-40 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.606 -0.27 . . . . 3.29 110.713 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.585 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 3.6 mpp? . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 121.547 0.689 . . . . 3.29 110.587 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.564 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 52.1 m -110.17 179.8 4.0 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.669 -1.15 . . . . 1.65 109.016 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.96 -39.27 85.03 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.915 0.388 . . . . 2.51 111.794 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -71.0 -49.66 42.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.687 0.625 . . . . 2.42 112.687 -164.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.564 ' OE1' ' HB2' ' A' ' 6' ' ' SER . 0.3 OUTLIER -70.01 -39.62 75.74 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.98 0.355 . . . . 2.29 111.797 -173.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -60.06 -34.71 73.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.109 0.48 . . . . 4.15 110.328 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.99 -37.47 81.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.22 110.521 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.9 mt -63.08 -48.57 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.331 -0.395 . . . . 1.05 110.676 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.99 -36.6 79.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.464 -0.334 . . . . 1.95 110.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -61.79 -41.15 97.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.361 0.6 . . . . 0.96 110.257 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.489 HD13 HD13 ' B' ' 15' ' ' ILE . 28.6 mt -66.56 -48.25 80.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 1.12 110.774 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.94 -41.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 1.16 110.857 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.267 -0.424 . . . . 2.45 111.758 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.738 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.5 m -68.35 -50.51 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.775 -0.454 . . . . 1.42 109.775 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -55.88 -39.83 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.619 -0.512 . . . . 4.47 109.619 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.448 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 59.3 t-80 -57.19 -44.97 84.12 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.209 -0.905 . . . . 3.54 112.272 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.738 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.7 pt20 -67.29 -33.5 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.166 0.439 . . . . 1.64 111.125 -176.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 97.6 m-85 -76.18 -36.56 58.64 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.224 -0.59 . . . . 2.26 110.02 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.672 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 17.7 p -77.9 -32.94 52.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.235 0.54 . . . . 1.35 111.413 -176.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.6 p -70.58 -3.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 1.26 111.419 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' ' CG ' ' A' ' 36' ' ' GLU . 67.8 mttm -64.02 -26.15 68.44 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.118 -0.492 . . . . 2.74 109.772 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' ND2' ' A' ' 33' ' ' ASN . 6.7 mp -90.39 12.8 17.31 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.14 -0.482 . . . . 2.65 112.057 175.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.03 -116.12 5.06 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 120.719 -0.753 . . . . 1.43 111.464 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -62.48 106.94 0.96 Allowed Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 106.841 -1.54 . . . . 4.53 106.841 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.672 ' O ' ' HB2' ' A' ' 23' ' ' SER . 49.8 Cg_endo -76.08 44.14 1.27 Allowed 'Trans proline' 0 CA--C 1.516 -0.396 0 CA-C-O 116.917 -1.368 . . . . 3.25 115.499 -153.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.62 1.81 6.11 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 123.269 2.759 . . . . 2.56 113.631 -150.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.593 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 1.7 t -157.31 159.4 37.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.02 0.528 . . . . 1.92 111.74 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 mt -99.16 119.95 38.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.884 -1.154 . . . . 1.23 107.884 159.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' ND2' HD11 ' A' ' 26' ' ' LEU . 9.4 p30 -81.07 174.0 12.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.547 -0.861 . . . . 2.75 110.065 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.898 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 7.6 tt0 -49.75 -43.88 48.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.623 0.577 . . . . 2.11 111.976 -175.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.81 47.0 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.434 -0.889 . . . . 0.46 111.698 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.57 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.55 -37.58 77.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.425 . . . . 2.0 111.178 -178.482 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.86 -52.35 57.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 2.37 110.558 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.8 mtpp -56.84 -45.14 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.115 -0.493 . . . . 1.95 110.852 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 33.0 tt0 -62.77 -45.37 92.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.716 0.294 . . . . 1.74 110.87 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.48 -49.47 77.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.55 -0.537 . . . . 2.07 109.55 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.0 t -59.93 -37.34 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.635 -0.711 . . . . 1.18 110.833 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 77.7 mtp180 -70.59 -29.4 65.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.392 0.516 . . . . 3.84 112.392 -175.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 36.6 mtmt -104.29 -56.52 2.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.64 0.607 . . . . 2.86 112.64 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.94 -42.49 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.492 -0.483 . . . . 1.88 111.037 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 77.8 mt -94.44 2.71 55.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.274 -0.421 . . . . 1.29 111.416 -175.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.054 0.542 . . . . 2.21 112.005 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.591 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 19.4 p-10 -97.42 -46.58 6.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.664 -0.698 . . . . 2.9 111.35 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' B' ' 9' ' ' GLU . 2.7 m-85 -72.09 -34.28 68.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.343 0.592 . . . . 2.75 110.596 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -104.21 24.02 12.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.803 -0.814 . . . . 1.36 108.803 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.4 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.283 0.845 . . . . 2.82 113.283 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -57.76 -37.51 73.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.446 0.641 . . . . 2.0 110.653 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.8 tt0 -74.55 -33.88 62.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.171 -0.922 . . . . 2.13 110.942 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.8 -18.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.7 110.943 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -4.55 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.102 -0.499 . . . . 3.82 110.991 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.49 145.72 51.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.842 -0.429 . . . . 1.95 109.842 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.8 mp0 -85.89 -43.62 13.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.46 110.503 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -58.7 -28.61 65.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 3.01 111.913 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 3.9 t -71.43 -38.3 68.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 1.43 109.992 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 mt -70.93 -35.08 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 1.76 109.776 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 21.0 mm-40 -57.44 -35.71 70.45 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.305 0.574 . . . . 1.86 109.796 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -63.87 -48.84 75.09 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.399 -0.819 . . . . 2.45 110.199 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 82' ' ' LEU . 31.0 mt -62.87 -34.86 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.714 0.768 . . . . 1.92 109.827 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.898 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.1 tpt -57.98 -37.86 75.01 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.425 -1.716 . . . . 1.27 111.86 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.7 tt0 -120.86 -30.52 4.4 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 115.561 -2.456 . . . . 2.37 111.364 -177.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.61 -34.88 67.65 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.622 -0.431 . . . . 1.93 110.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 22.7 mt -81.56 -29.49 33.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.787 -0.365 . . . . 1.87 111.404 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 63.3 t0 -70.59 89.43 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.771 0.796 . . . . 1.39 111.061 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.0 m -60.43 -22.55 63.54 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.537 -1.21 . . . . 2.54 111.431 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.55 -6.31 49.89 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.587 -0.445 . . . . 2.89 110.681 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.19 33.9 10.33 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.244 -0.889 . . . . 1.71 113.037 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -117.13 18.44 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.746 -0.207 . . . . 1.95 110.769 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 65.05 38.55 6.12 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.934 0.771 . . . . 2.22 109.441 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.593 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 27.2 mt-30 -142.71 141.44 31.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.055 -0.975 . . . . 2.32 110.466 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' N ' ' HG1' ' A' ' 31' ' ' THR . 62.2 mt -114.91 114.5 25.56 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.446 -0.502 . . . . 1.34 110.5 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 m -77.02 166.3 23.49 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.959 -0.756 . . . . 1.78 108.959 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.688 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 22.7 p90 -52.32 -40.63 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.909 0.707 . . . . 3.75 112.909 -175.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 80' ' ' ILE . 35.3 mt-10 -69.8 -29.27 66.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 2.03 111.452 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.66 -48.81 17.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.149 0.499 . . . . 3.18 109.752 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 2.1 p90 -73.38 -25.41 60.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.186 -0.605 . . . . 3.91 111.135 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.512 ' CG2' ' HB3' ' B' ' 84' ' ' ALA . 3.5 tp -65.07 -40.94 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.059 -0.656 . . . . 2.63 109.67 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.633 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 85.4 mmm -53.26 -37.21 61.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.711 -0.222 . . . . 2.19 111.075 170.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 53.6 tp -58.45 -40.31 82.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.909 0.385 . . . . 1.99 110.203 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.452 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 26.5 mmt -63.87 -26.84 68.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.955 -0.566 . . . . 1.59 110.01 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.507 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . . . -79.57 -36.85 37.62 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.929 0.395 . . . . 1.16 110.327 175.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -64.67 -36.28 83.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.527 0.68 . . . . 2.07 109.368 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.0 tp -77.19 -28.32 53.89 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.439 -0.801 . . . . 2.16 109.612 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.8 m -65.82 -32.13 73.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.573 -0.529 . . . . 1.2 109.573 171.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.506 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.7 t90 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.518 -0.549 . . . . 4.33 109.518 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.12 -32.73 74.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 1.84 110.421 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.95 -36.18 75.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.675 . . . . 2.14 109.683 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -64.55 -39.03 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.335 -0.848 . . . . 3.9 110.878 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.0 pt-20 . . . . . 0 C--N 1.319 -0.722 0 CA-C-N 116.42 -0.355 . . . . 3.3 111.463 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' MET . . . . . 0.591 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 3.6 mpp? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.619 0.724 . . . . 3.29 110.486 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.543 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 55.7 m -110.85 179.74 3.97 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.713 -1.131 . . . . 1.66 109.144 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.89 -39.33 84.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.938 0.399 . . . . 2.52 111.639 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.606 ' O ' HG13 ' B' ' 12' ' ' ILE . 0.8 OUTLIER -71.12 -49.61 42.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.665 0.617 . . . . 2.42 112.665 -164.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.543 ' OE1' ' HB2' ' B' ' 6' ' ' SER . 0.3 OUTLIER -70.03 -39.55 75.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.99 0.359 . . . . 2.28 111.875 -172.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -60.06 -34.78 73.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 4.16 110.343 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -67.95 -37.47 81.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 2.21 110.595 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.606 HG13 ' O ' ' B' ' 8' ' ' LEU . 69.3 mt -63.08 -48.56 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.333 -0.394 . . . . 1.06 110.776 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.71 -36.72 79.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 1.95 111.018 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.6 m -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.96 110.284 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.489 HD13 HD13 ' A' ' 15' ' ' ILE . 28.0 mt -66.45 -48.2 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 1.13 110.817 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.13 -41.42 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.16 110.83 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -69.43 -30.87 68.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.22 -0.445 . . . . 2.45 111.863 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.744 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.0 m -68.49 -50.59 51.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.802 -0.444 . . . . 1.41 109.802 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -55.79 -39.75 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.142 0.496 . . . . 4.47 109.675 173.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' HIS . . . . . 0.447 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 59.3 t-80 -57.25 -44.85 84.26 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.249 -0.887 . . . . 3.55 112.404 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.7 pt20 -67.26 -33.72 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 118.035 0.38 . . . . 1.64 111.144 -176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.525 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 97.5 m-85 -76.01 -36.51 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.128 -0.629 . . . . 2.25 110.034 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.67 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 18.4 p -77.94 -32.83 51.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 1.35 111.51 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.56 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -70.72 -3.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 1.26 111.316 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.578 ' HD2' ' CG ' ' B' ' 36' ' ' GLU . 67.7 mttm -63.82 -26.36 68.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.095 -0.502 . . . . 2.74 109.712 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.518 HD11 ' ND2' ' B' ' 33' ' ' ASN . 6.7 mp -90.22 12.72 17.22 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.194 -0.457 . . . . 2.65 112.075 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.14 -116.1 5.07 Favored Glycine 0 C--O 1.228 -0.278 0 C-N-CA 120.724 -0.751 . . . . 1.43 111.307 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -62.63 106.91 0.97 Allowed Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 106.784 -1.562 . . . . 4.53 106.784 167.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.67 ' O ' ' HB2' ' B' ' 23' ' ' SER . 50.2 Cg_endo -76.06 44.03 1.25 Allowed 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-O 116.901 -1.375 . . . . 3.25 115.571 -153.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -71.6 1.47 6.58 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 123.3 2.773 . . . . 2.56 113.568 -150.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.59 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 1.7 t -156.97 159.34 37.96 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.175 0.59 . . . . 1.92 111.794 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -99.05 120.06 38.84 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.868 -1.16 . . . . 1.23 107.868 159.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.518 ' ND2' HD11 ' B' ' 26' ' ' LEU . 9.4 p30 -81.21 173.94 12.03 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.518 -0.873 . . . . 2.74 110.037 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.907 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 7.6 tt0 -49.61 -44.04 46.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.698 0.624 . . . . 2.11 112.003 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.91 46.54 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.457 -0.877 . . . . 0.46 111.654 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.578 ' CG ' ' HD2' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -69.28 -37.51 77.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.369 . . . . 2.01 111.212 -178.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.87 -52.36 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.377 -0.374 . . . . 2.37 110.552 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 27.8 mtpp -56.95 -45.17 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.146 -0.479 . . . . 1.95 110.911 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 33.3 tt0 -62.69 -45.27 93.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 1.75 110.944 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.49 -49.52 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.597 -0.52 . . . . 2.07 109.597 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.535 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 76.2 t -59.82 -37.36 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.601 -0.727 . . . . 1.18 110.832 177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 77.4 mtp180 -70.61 -29.4 65.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.378 0.51 . . . . 3.84 112.378 -175.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 36.6 mtmt -104.36 -56.39 2.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.692 0.627 . . . . 2.86 112.692 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.95 -42.65 17.37 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.62 -0.432 . . . . 1.87 110.957 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.535 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 78.1 mt -94.27 2.6 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.256 -0.429 . . . . 1.29 111.469 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.645 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.019 0.528 . . . . 2.21 111.918 -175.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 19.5 p-10 -97.49 -46.44 6.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.733 -0.667 . . . . 2.9 111.311 -177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 9' ' ' GLU . 2.7 m-85 -72.17 -34.51 68.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.312 0.577 . . . . 2.75 110.508 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.96 24.04 11.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.816 -0.809 . . . . 1.36 108.816 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.44 4.64 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.249 0.833 . . . . 2.81 113.249 -171.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . 0.545 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -57.81 -37.24 73.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.363 0.601 . . . . 2.0 110.746 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.2 tt0 -74.77 -33.76 62.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.179 -0.919 . . . . 2.13 111.073 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.91 -18.0 65.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 1.7 111.023 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.11 -4.88 57.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 3.82 110.968 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.19 145.63 51.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.911 -0.403 . . . . 1.95 109.911 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 mp0 -85.9 -43.8 12.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 2.46 110.474 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -58.69 -28.25 65.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 3.01 112.037 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 3.9 t -71.68 -38.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.224 0.535 . . . . 1.42 110.071 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -71.2 -35.06 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 1.76 109.852 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 21.0 mm-40 -57.3 -35.9 70.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.238 0.542 . . . . 1.85 109.774 174.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -63.76 -48.89 75.16 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.425 -0.807 . . . . 2.45 110.185 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.4 HG23 HD13 ' B' ' 82' ' ' LEU . 30.8 mt -62.76 -34.94 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.838 0.828 . . . . 1.92 109.872 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.907 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.1 tpt -57.93 -37.55 74.31 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 113.385 -1.734 . . . . 1.26 111.912 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 27.7 tt0 -121.09 -30.55 4.33 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 115.466 -2.494 . . . . 2.36 111.298 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.79 -34.4 67.62 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.541 -0.464 . . . . 1.93 110.652 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 22.8 mt -82.01 -29.14 32.17 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.769 -0.372 . . . . 1.87 111.457 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.456 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 63.1 t0 -70.8 89.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.915 0.864 . . . . 1.4 111.037 -174.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 86.0 m -60.78 -22.55 64.21 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.317 -1.31 . . . . 2.54 111.401 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.6 -6.19 50.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 2.89 110.604 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.0 33.79 9.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.261 -0.881 . . . . 1.71 113.133 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.02 18.17 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.648 0.261 . . . . 1.95 110.605 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' B' ' 34' ' ' GLN . 0.2 OUTLIER 65.18 38.6 5.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.669 -0.696 . . . . 2.22 109.352 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.59 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 27.2 mt-30 -142.8 141.26 31.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.979 -1.01 . . . . 2.32 110.532 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.505 ' N ' ' HG1' ' B' ' 31' ' ' THR . 61.4 mt -114.64 114.59 25.88 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.9 -0.5 . . . . 1.34 110.527 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 5.7 m -77.03 166.41 23.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.007 -0.738 . . . . 1.78 109.007 175.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.698 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 22.7 p90 -52.34 -40.59 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.885 0.698 . . . . 3.75 112.885 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.418 ' O ' HG23 ' B' ' 80' ' ' ILE . 35.3 mt-10 -69.78 -29.43 66.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 2.04 111.482 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 66' ' ' LEU . 18.8 mm-40 -76.56 -48.75 18.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.22 0.533 . . . . 3.18 109.75 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.698 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 2.2 p90 -73.27 -25.38 60.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.137 -0.625 . . . . 3.91 111.181 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.507 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 3.5 tp -65.21 -40.84 90.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 2.62 109.623 176.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' MET . . . . . 0.631 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 85.6 mmm -53.23 -37.38 62.01 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.739 -0.209 . . . . 2.19 110.997 170.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.54 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 53.7 tp -58.45 -40.3 82.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.948 0.404 . . . . 1.99 110.172 175.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.457 ' HA ' ' HE3' ' B' ' 83' ' ' MET . 26.3 mmt -63.76 -26.86 68.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.015 -0.539 . . . . 1.59 110.012 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.512 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . . . -79.5 -37.03 37.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.945 0.402 . . . . 1.15 110.36 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.9 mtp180 -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.511 0.672 . . . . 2.07 109.384 176.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -77.32 -28.3 53.12 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 115.467 -0.788 . . . . 2.16 109.598 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -65.74 -32.03 73.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.599 -0.519 . . . . 1.2 109.599 171.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' TRP . . . . . 0.5 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 24.8 t90 -66.86 -36.14 81.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.459 -0.571 . . . . 4.33 109.459 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.0 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 1.84 110.386 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.72 -36.12 75.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.667 -0.697 . . . . 2.13 109.559 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.74 -38.64 91.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.392 -0.822 . . . . 3.9 110.889 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.1 pt-20 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.307 -0.406 . . . . 3.29 111.468 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttm . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.821 0.343 . . . . 9.36 110.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -77.53 -36.44 52.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 7.37 110.14 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -93.13 81.42 4.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.159 0.504 . . . . 5.47 110.336 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 47' ' ' ASN . 45.8 tptt -58.85 -41.56 87.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.418 -0.81 . . . . 2.88 110.214 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.54 ' HG2' ' OE1' ' A' ' 9' ' ' GLU . 40.7 mtp -47.7 150.33 1.06 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.49 -1.232 . . . . 3.29 112.533 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -119.21 175.94 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 1.65 109.879 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.5 -48.01 76.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.926 0.394 . . . . 2.51 110.769 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.703 ' CD2' ' HA ' ' B' ' 15' ' ' ILE . 34.0 mt -69.31 -41.37 76.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.038 -0.528 . . . . 2.42 111.365 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.54 ' OE1' ' HG2' ' A' ' 5' ' ' MET . 2.8 tm-20 -63.51 -50.01 71.29 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.182 0.301 . . . . 2.29 110.763 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtm180 -55.95 -42.64 76.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.199 0.523 . . . . 4.15 110.514 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.559 ' ND2' ' HB ' ' B' ' 14' ' ' THR . 2.6 m120 -62.04 -39.39 92.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.46 -0.791 . . . . 2.22 111.525 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 8' ' ' LEU . 66.8 mt -67.88 -46.96 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.949 -0.389 . . . . 1.05 109.949 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.34 -44.11 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.95 110.147 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.557 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 47.1 m -59.06 -41.12 87.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.244 -0.434 . . . . 0.96 110.451 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.73 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 20.2 mt -65.56 -49.59 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.109 -0.496 . . . . 1.12 110.742 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' B' ' 90' ' ' SER . 96.8 mt -54.41 -52.82 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.53 -0.759 . . . . 1.16 111.626 -178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 14' ' ' THR . 9.7 p30 -70.53 -32.87 70.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.323 -0.551 . . . . 2.45 112.207 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.709 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 8.8 m -75.85 -47.59 24.95 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.281 -0.568 . . . . 1.42 110.391 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -53.48 -41.05 65.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.317 -0.623 . . . . 4.47 109.317 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 35.6 m170 -69.39 -21.92 63.75 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.465 -0.789 . . . . 3.54 112.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.709 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt20 -68.88 -31.57 70.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.996 0.817 . . . . 1.64 109.049 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD2' HD22 ' A' ' 40' ' ' LEU . 93.7 m-85 -77.66 -30.83 52.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 2.26 110.003 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' A' ' 31' ' ' THR . 2.4 m -76.71 -29.72 56.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.538 0.685 . . . . 1.35 111.161 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.8 p -78.04 -3.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 1.26 111.569 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.2 -23.81 67.45 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.531 . . . . 2.74 110.598 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -88.74 -6.86 57.14 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.226 0.454 . . . . 2.65 112.226 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.96 -120.51 4.5 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.346 -0.701 . . . . 1.43 111.346 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -60.64 112.73 6.06 Favored Pre-proline 0 C--O 1.231 0.116 0 N-CA-C 106.111 -1.811 . . . . 4.53 106.111 166.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 66.8 Cg_endo -75.13 39.78 0.62 Allowed 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 115.155 1.175 . . . . 3.25 115.155 -153.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.59 2.82 5.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.98 2.173 . . . . 2.56 113.472 -147.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.725 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 11.9 t -157.82 173.1 17.32 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 123.158 0.583 . . . . 1.92 111.145 -168.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' CD2' ' HG ' ' A' ' 23' ' ' SER . 20.1 mt -120.37 118.41 30.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.382 -0.969 . . . . 1.23 108.382 158.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -82.74 -176.81 6.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.644 -0.822 . . . . 2.75 109.088 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.564 ' HA ' ' CG ' ' A' ' 63' ' ' MET . 35.7 tt0 -51.93 -45.69 64.41 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.5 -0.318 . . . . 2.11 111.757 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -40.2 48.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.671 -0.776 . . . . 0.46 112.415 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.6 -40.18 76.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.71 -0.245 . . . . 2.0 110.725 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.87 -46.2 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 2.37 110.912 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -57.78 -46.48 84.52 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.362 -0.381 . . . . 1.95 110.683 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 41.1 tt0 -62.11 -45.85 91.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 1.74 110.819 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 22' ' ' TYR . 2.0 tm? -51.72 -53.64 37.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 2.07 110.207 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.501 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 95.9 t -64.4 -37.49 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.36 0.6 . . . . 1.18 110.536 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.9 ttm180 -67.89 -29.23 68.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.649 -0.705 . . . . 3.84 111.631 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HZ3' ' HA ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -98.46 -53.53 3.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.309 0.485 . . . . 2.86 112.309 -175.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' B' ' 8' ' ' LEU . 1.7 m-20 -95.92 -41.19 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.698 0.629 . . . . 1.88 112.698 -172.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 72.1 mt -88.0 1.96 52.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 1.29 110.41 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.4 pt20 -52.06 -21.6 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.023 -0.99 . . . . 2.21 111.775 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 2.2 p30 -97.56 -49.68 4.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.162 -0.472 . . . . 2.9 111.284 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' O ' HD13 ' A' ' 109' ' ' LEU . 1.5 m-30 -69.86 -35.25 74.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.457 0.646 . . . . 2.75 110.751 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.3 22.71 15.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.742 -0.663 . . . . 1.36 109.79 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 11.1 ptmt -48.8 -42.51 36.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.899 0.703 . . . . 2.82 112.899 -174.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -62.61 -36.76 83.78 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.651 0.739 . . . . 2.0 110.098 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.4 tt0 -75.19 -32.75 61.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.704 -1.134 . . . . 2.13 110.064 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.597 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 25.8 t-20 -65.78 -16.77 64.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.117 -0.947 . . . . 1.7 111.286 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -80.86 -13.99 58.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 3.82 110.247 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -125.58 145.35 50.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.749 -0.463 . . . . 1.95 109.749 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -89.23 -33.53 16.96 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.922 0.392 . . . . 2.46 110.558 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.95 -30.04 70.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 3.01 111.725 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 11.7 t -68.86 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 1.43 109.53 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.95 -37.81 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.337 -0.847 . . . . 1.76 110.013 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.14 -35.4 73.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.034 -0.53 . . . . 1.86 110.887 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -63.06 -49.06 76.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.447 -0.342 . . . . 2.45 110.118 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' ' 66' ' ' LEU . 54.0 mt -65.86 -34.49 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.532 0.682 . . . . 1.92 110.314 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.564 ' CG ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -52.88 -50.87 62.97 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.808 -1.542 . . . . 1.27 110.361 176.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.551 ' O ' ' HB3' ' A' ' 67' ' ' ASP . 34.0 tt0 -112.71 -28.72 7.68 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 115.399 -2.521 . . . . 2.37 110.431 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.87 -39.4 81.25 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.922 -0.486 . . . . 1.93 111.392 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 62' ' ' ILE . 10.9 mp -77.02 -15.97 59.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.805 0.336 . . . . 1.87 111.322 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 64' ' ' GLU . 7.7 t70 -68.5 78.37 0.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.295 1.045 . . . . 1.39 109.887 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.0 p -69.06 -27.89 66.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.121 -1.399 . . . . 2.54 111.44 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.5 -0.7 56.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.72 . . . . 2.89 109.709 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . . . 56.61 41.72 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.681 -1.145 . . . . 1.71 113.454 166.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.34 10.79 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.865 0.364 . . . . 1.95 110.635 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER 63.63 38.9 9.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.962 0.887 . . . . 2.22 108.826 -176.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.725 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 26.6 mt-30 -143.21 166.57 24.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.863 -1.517 . . . . 2.32 108.528 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 73' ' ' GLN . 50.9 mt -129.67 113.13 14.39 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.474 -0.491 . . . . 1.34 110.49 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -76.16 170.42 16.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.301 -0.863 . . . . 1.78 108.983 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.748 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 3.9 m-85 -49.74 -44.65 48.7 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.168 0.293 . . . . 3.75 111.216 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.569 ' O ' HG21 ' A' ' 80' ' ' ILE . 43.5 mt-10 -67.86 -33.67 75.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.964 0.411 . . . . 2.03 111.708 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 81' ' ' MET . 32.1 mt-10 -76.15 -47.49 24.09 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.284 0.564 . . . . 3.18 110.42 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.748 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 2.4 p90 -71.39 -26.76 62.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 119.039 -1.064 . . . . 3.91 110.446 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.569 HG21 ' O ' ' A' ' 77' ' ' GLU . 4.2 tp -65.8 -40.09 86.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.182 -0.607 . . . . 2.63 110.724 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.619 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.0 ptp -63.92 -26.23 68.5 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.627 -0.429 . . . . 2.19 110.497 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.614 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.2 tm? -57.86 -43.37 85.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.136 -0.69 . . . . 1.99 109.136 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.514 ' HE1' ' O ' ' A' ' 79' ' ' PHE . 1.9 mpp? -63.4 -24.87 68.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.984 -0.553 . . . . 1.59 111.501 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.507 ' HB2' HG22 ' B' ' 80' ' ' ILE . . . -76.59 -38.25 55.14 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.897 0.38 . . . . 1.16 110.506 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 81' ' ' MET . 22.3 mtp-105 -59.34 -42.79 92.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.996 0.903 . . . . 2.07 108.714 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 48' ' ' PHE . 21.6 tp -72.29 -26.54 62.01 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 114.43 -1.259 . . . . 2.16 110.136 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.0 m -65.67 -36.24 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.591 -0.277 . . . . 1.2 110.499 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.58 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 91.2 t90 -66.48 -37.62 85.51 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.412 -0.588 . . . . 4.33 109.412 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.85 89.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.563 . . . . 1.84 110.796 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB2' HD11 ' B' ' 16' ' ' ILE . 18.1 m -73.75 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.182 -0.463 . . . . 2.14 110.611 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.6 t-80 -67.8 -36.02 79.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.015 -0.735 . . . . 3.9 109.015 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.9 mm-40 -73.77 -30.41 62.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.778 -1.101 . . . . 3.3 110.489 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.63 ' O ' ' HD2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -80.52 -21.61 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.405 0.622 . . . . 6.1 109.351 176.424 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 50.3 ttp -64.15 -25.94 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 6.04 110.482 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -79.18 69.45 5.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.517 -0.549 . . . . 5.89 109.517 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 41.9 tt0 -62.57 119.73 9.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.541 0.686 . . . . 5.97 110.337 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.66 56.61 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 114.322 -1.308 . . . . 7.17 112.407 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.425 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 27.8 t70 -67.87 -18.92 64.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 111.935 0.346 . . . . 9.86 111.935 -170.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -76.64 -27.69 55.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.144 0.497 . . . . 8.93 110.654 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 170.67 88.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 110.562 -1.015 . . . . 6.76 110.562 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -72.99 135.31 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.588 2.192 . . . . 7.95 114.138 -167.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.13 -36.02 2.05 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.209 -1.556 . . . . 10.53 109.209 164.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -152.8 133.52 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.235 -1.024 . . . . 13.58 108.235 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -97.5 127.61 43.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.326 0.584 . . . . 8.85 111.691 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -100.62 158.86 15.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.445 -0.946 . . . . 8.81 108.445 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB2' ' HA2' ' A' ' 110' ' ' GLY . 25.9 mtpp -74.49 144.24 80.57 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 121.084 0.468 . . . . 6.51 111.267 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.498 ' O ' ' HB2' ' A' ' 111' ' ' GLU . 97.2 Cg_exo -48.45 151.77 4.48 Favored 'Trans proline' 0 C--O 1.204 -1.192 0 C-N-CA 124.307 3.338 . . . . 3.35 116.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.88 -45.83 0.01 OUTLIER Glycine 0 C--N 1.305 -1.185 0 C-N-CA 128.692 3.044 . . . . 3.44 118.308 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -145.48 -49.74 0.24 Allowed 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 120.364 2.082 . . . . 2.4 108.317 145.167 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 106' ' ' LYS . . . -132.16 8.56 5.39 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 111.963 -2.38 . . . . 2.79 111.944 -175.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -76.47 152.28 36.18 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.143 0.977 . . . . 3.67 113.136 -163.126 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.25 110.51 2.76 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.511 -1.036 . . . . 3.01 110.511 170.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.2 p -127.42 123.61 23.27 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.562 0.181 . . . . 3.92 111.079 -175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 C--O 1.251 1.14 0 C-N-CA 122.699 2.266 . . . . 5.37 111.456 174.355 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.829 0.347 . . . . 9.37 110.623 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -77.23 -36.64 54.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.267 -0.424 . . . . 7.37 110.185 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.0 p -92.79 81.5 4.69 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.228 0.537 . . . . 5.48 110.299 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -58.98 -41.64 88.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.369 -0.832 . . . . 2.87 110.098 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.562 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 40.4 mtp -47.44 150.84 0.86 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.688 -1.142 . . . . 3.29 112.489 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.59 175.79 5.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.558 . . . . 1.66 109.837 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -64.22 -47.97 77.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.781 0.324 . . . . 2.52 110.902 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.73 ' CD2' ' HA ' ' A' ' 15' ' ' ILE . 33.2 mt -69.4 -41.34 76.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.08 -0.509 . . . . 2.42 111.372 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' HG2' ' B' ' 5' ' ' MET . 2.8 tm-20 -63.56 -50.08 70.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 123.201 0.313 . . . . 2.28 110.679 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -55.98 -42.56 76.51 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.208 0.528 . . . . 4.16 110.515 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.557 ' ND2' ' HB ' ' A' ' 14' ' ' THR . 2.6 m120 -62.17 -39.21 91.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 2.21 111.565 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 8' ' ' LEU . 66.4 mt -67.9 -47.25 79.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.964 -0.384 . . . . 1.06 109.964 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -57.98 -44.17 86.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 1.95 110.21 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.559 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 52.1 m -59.29 -40.87 87.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.263 -0.426 . . . . 0.96 110.554 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.703 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.0 mt -65.64 -49.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 1.13 110.728 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 90' ' ' SER . 96.9 mt -54.26 -52.84 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.55 -0.75 . . . . 1.16 111.667 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' B' ' 14' ' ' THR . 9.9 p30 -70.45 -32.9 70.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.385 -0.526 . . . . 2.45 112.187 -175.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.701 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 8.9 m -75.94 -47.51 24.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.387 -0.525 . . . . 1.41 110.351 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 2.5 m-85 -53.46 -41.15 65.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.298 -0.63 . . . . 4.47 109.298 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 35.5 m170 -69.45 -21.69 63.7 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.417 -0.811 . . . . 3.55 112.94 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.701 ' HG2' ' O ' ' B' ' 18' ' ' THR . 8.7 pt20 -69.05 -31.72 70.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.982 0.81 . . . . 1.64 108.898 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.535 ' CD2' HD22 ' B' ' 40' ' ' LEU . 93.6 m-85 -77.7 -30.7 51.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 2.25 109.903 173.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.522 ' HB3' ' O ' ' B' ' 31' ' ' THR . 2.4 m -76.62 -29.84 56.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.541 0.686 . . . . 1.35 111.189 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -77.92 -3.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.497 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.21 -23.7 67.4 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 2.74 110.606 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -88.68 -6.91 57.15 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.156 -0.474 . . . . 2.65 112.178 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.6 -121.45 4.86 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 110.99 -0.844 . . . . 1.43 110.99 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -59.45 112.46 5.25 Favored Pre-proline 0 C--O 1.232 0.137 0 N-CA-C 106.374 -1.713 . . . . 4.53 106.374 166.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.535 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 65.0 Cg_endo -75.23 39.76 0.63 Allowed 'Trans proline' 0 CA--C 1.517 -0.334 0 N-CA-C 115.258 1.215 . . . . 3.25 115.258 -153.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.71 3.0 5.55 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 121.995 2.179 . . . . 2.56 113.337 -147.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.719 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 12.0 t -157.82 173.18 17.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.164 0.586 . . . . 1.92 111.175 -168.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.435 ' CD2' ' HG ' ' B' ' 23' ' ' SER . 20.2 mt -120.51 118.38 30.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.318 -0.993 . . . . 1.23 108.318 158.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.69 -176.77 6.44 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.763 -0.775 . . . . 2.74 109.068 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.564 ' HA ' ' CG ' ' B' ' 63' ' ' MET . 35.4 tt0 -51.83 -46.01 64.17 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.46 -0.336 . . . . 2.11 111.75 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.6 -40.09 47.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.68 -0.772 . . . . 0.46 112.297 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.64 -39.89 76.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.654 0.264 . . . . 2.01 110.755 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.97 -46.15 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.385 . . . . 2.37 110.952 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -57.74 -46.7 84.11 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.305 -0.407 . . . . 1.95 110.707 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 41.7 tt0 -61.86 -45.72 92.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.053 -0.521 . . . . 1.75 110.89 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' B' ' 22' ' ' TYR . 2.0 tm? -51.92 -53.66 38.44 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.87 0.367 . . . . 2.07 110.201 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 96.8 t -64.29 -37.45 79.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.358 0.599 . . . . 1.18 110.612 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.606 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 39.7 ttm180 -68.15 -28.8 67.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 3.84 111.723 -174.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -98.61 -53.37 3.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.373 0.509 . . . . 2.86 112.373 -175.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' A' ' 8' ' ' LEU . 1.8 m-20 -96.17 -41.2 8.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.755 0.65 . . . . 1.87 112.755 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 73.0 mt -87.84 1.93 52.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 1.29 110.512 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.536 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.4 pt20 -52.11 -21.67 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.0 -1.0 . . . . 2.21 111.805 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 2.2 p30 -97.32 -49.64 4.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 2.9 111.343 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.591 ' O ' HD13 ' B' ' 109' ' ' LEU . 1.5 m-30 -69.9 -35.56 74.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.457 0.646 . . . . 2.75 110.675 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -108.97 22.75 15.5 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.722 -0.672 . . . . 1.36 109.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 11.0 ptmt -48.8 -42.78 37.01 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.878 0.696 . . . . 2.81 112.878 -174.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -62.52 -36.65 83.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.67 0.748 . . . . 2.0 110.094 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.3 tt0 -75.27 -32.74 61.13 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.701 -1.136 . . . . 2.13 109.975 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 25.3 t-20 -65.77 -16.8 64.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.127 -0.942 . . . . 1.7 111.179 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -81.09 -13.22 58.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 3.82 110.254 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -126.12 145.51 50.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.722 -0.473 . . . . 1.95 109.722 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.5 -33.45 16.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.839 0.352 . . . . 2.46 110.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.0 -29.77 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.804 -0.634 . . . . 3.01 111.672 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 11.7 t -68.97 -41.44 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 1.42 109.631 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.03 -37.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.245 -0.889 . . . . 1.76 110.014 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.17 -35.09 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.026 -0.534 . . . . 1.85 110.823 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -63.28 -49.31 74.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.114 -0.328 . . . . 2.45 110.114 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.536 ' HA ' HD12 ' B' ' 66' ' ' LEU . 53.8 mt -65.81 -34.38 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.536 0.684 . . . . 1.92 110.408 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.564 ' CG ' ' HA ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -52.84 -50.83 62.94 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 113.839 -1.528 . . . . 1.26 110.389 176.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' B' ' 67' ' ' ASP . 34.0 tt0 -112.6 -29.03 7.6 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 115.404 -2.518 . . . . 2.36 110.323 -167.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.74 -39.41 80.84 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.405 -0.518 . . . . 1.93 111.283 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' B' ' 62' ' ' ILE . 10.9 mp -77.28 -15.63 59.35 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.887 0.375 . . . . 1.87 111.227 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' B' ' 64' ' ' GLU . 7.4 t70 -68.53 78.08 0.28 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.272 1.034 . . . . 1.4 109.946 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 61.0 p -68.95 -28.24 66.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.19 -1.368 . . . . 2.54 111.306 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -86.19 -0.8 56.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.672 -0.695 . . . . 2.89 109.668 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.469 ' HA ' ' OD2' ' B' ' 67' ' ' ASP . . . 56.92 41.42 27.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.679 -1.146 . . . . 1.71 113.499 167.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.16 10.98 14.0 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.91 -0.316 . . . . 1.95 110.66 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.542 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.7 OUTLIER 63.9 38.16 9.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.849 0.833 . . . . 2.22 108.909 -176.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.719 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.6 mt-30 -142.79 166.5 24.47 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.06 -1.427 . . . . 2.32 108.552 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.455 HD22 ' O ' ' B' ' 73' ' ' GLN . 50.4 mt -129.7 113.3 14.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.187 0.518 . . . . 1.34 110.498 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.6 t -76.11 170.33 16.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.147 -0.933 . . . . 1.78 109.105 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.742 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 3.9 m-85 -49.63 -44.54 47.47 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.207 0.317 . . . . 3.75 111.148 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' O ' HG21 ' B' ' 80' ' ' ILE . 43.9 mt-10 -67.98 -33.64 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 2.04 111.768 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' B' ' 81' ' ' MET . 32.2 mt-10 -76.34 -47.33 23.88 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.252 0.549 . . . . 3.18 110.367 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.742 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 2.3 p90 -71.4 -26.79 62.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 118.955 -1.098 . . . . 3.91 110.551 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.563 HG21 ' O ' ' B' ' 77' ' ' GLU . 4.2 tp -65.84 -40.12 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.17 -0.612 . . . . 2.62 110.747 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.621 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 24.0 ptp -63.98 -26.07 68.41 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.549 -0.46 . . . . 2.19 110.43 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.613 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.2 tm? -57.87 -43.37 85.97 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.202 -0.666 . . . . 1.99 109.202 171.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.511 ' HE1' ' O ' ' B' ' 79' ' ' PHE . 1.9 mpp? -63.46 -24.87 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 1.59 111.396 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.507 ' HB2' HG22 ' A' ' 80' ' ' ILE . . . -76.58 -38.2 55.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.875 0.369 . . . . 1.15 110.554 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' B' ' 81' ' ' MET . 22.9 mtp-105 -59.52 -42.67 92.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.062 0.934 . . . . 2.07 108.682 175.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' B' ' 48' ' ' PHE . 21.5 tp -72.24 -26.59 62.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.405 -1.27 . . . . 2.16 110.106 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -36.26 83.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.549 -0.296 . . . . 1.2 110.535 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 91.1 t90 -66.48 -37.45 85.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.438 -0.578 . . . . 4.33 109.438 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.96 89.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 1.84 110.775 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.483 ' HB2' HD11 ' A' ' 16' ' ' ILE . 18.4 m -73.77 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.089 -0.505 . . . . 2.13 110.713 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.7 t-80 -67.81 -35.81 79.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.987 -0.745 . . . . 3.9 108.987 172.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 11.6 mm-40 -74.08 -30.28 62.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.785 -1.098 . . . . 3.29 110.396 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.623 ' O ' ' HD2' ' B' ' 93' ' ' LYS . 0.6 OUTLIER -80.7 -21.65 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.372 -0.603 . . . . 6.1 109.372 176.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.07 -26.24 68.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 6.04 110.457 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.55 69.37 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.525 -0.546 . . . . 5.89 109.525 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 41.2 tt0 -62.37 119.54 9.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.68 . . . . 5.97 110.421 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.16 -11.76 56.23 Favored Glycine 0 C--O 1.223 -0.591 0 CA-C-N 114.29 -1.323 . . . . 7.19 112.422 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.407 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 28.0 t70 -68.08 -19.11 64.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 111.983 0.364 . . . . 9.86 111.983 -170.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -76.56 -27.28 55.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 8.93 110.721 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 170.25 88.38 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.617 -0.993 . . . . 6.77 110.617 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -72.86 135.61 23.78 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.603 2.202 . . . . 7.97 114.171 -167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.2 -36.45 1.97 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.309 -1.517 . . . . 10.54 109.309 164.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -152.57 133.54 14.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.084 -1.08 . . . . 13.58 108.084 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -97.27 128.16 43.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.153 0.501 . . . . 8.86 111.562 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -100.94 158.78 15.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.462 -0.94 . . . . 8.81 108.462 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.451 ' HB2' ' HA2' ' B' ' 110' ' ' GLY . 26.0 mtpp -74.46 144.52 81.09 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-O 120.986 0.422 . . . . 6.52 111.29 -177.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 99.5 Cg_exo -48.56 151.69 4.74 Favored 'Trans proline' 0 C--O 1.205 -1.167 0 C-N-CA 124.315 3.343 . . . . 3.36 116.03 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.87 -45.74 0.01 OUTLIER Glycine 0 C--N 1.304 -1.246 0 C-N-CA 128.698 3.047 . . . . 3.43 118.311 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.591 HD13 ' O ' ' B' ' 48' ' ' PHE . 1.0 OUTLIER -145.47 -49.89 0.24 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 120.414 2.107 . . . . 2.41 108.249 145.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' B' ' 106' ' ' LYS . . . -132.06 8.56 5.42 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 111.916 -2.402 . . . . 2.79 112.015 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -76.27 152.31 36.53 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 124.122 0.969 . . . . 3.68 113.146 -163.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.4 110.39 2.71 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.594 -1.002 . . . . 3.02 110.594 170.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 29.1 p -126.75 124.22 24.04 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-O 120.399 0.143 . . . . 3.92 111.025 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.495 2.13 . . . . 5.38 111.434 173.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.959 0.409 . . . . 9.36 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.418 ' O ' ' HE2' ' B' ' 50' ' ' LYS . 4.5 t -90.48 89.87 7.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.526 0.679 . . . . 7.37 111.274 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -140.16 55.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 5.47 110.366 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -137.46 -138.5 0.14 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.608 -0.886 . . . . 2.88 108.608 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HB2' ' A' ' 9' ' ' GLU . 2.0 ttt -152.77 131.02 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.789 -0.569 . . . . 3.29 110.747 175.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -87.38 174.86 8.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 1.65 110.073 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.66 -46.58 86.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.51 110.862 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' B' ' 15' ' ' ILE . 3.9 mm? -64.73 -45.53 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 2.42 110.666 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 71.5 mt-10 -61.61 -46.58 89.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.316 -0.402 . . . . 2.29 111.141 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -59.4 -37.94 79.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 4.15 110.797 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.71 -45.25 83.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.336 . . . . 2.22 110.357 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -60.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 1.05 110.682 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.63 -36.89 84.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.698 -0.228 . . . . 1.95 110.546 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.8 m -64.61 -37.02 86.14 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.156 0.503 . . . . 0.96 110.545 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.596 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 44.0 mt -70.13 -44.55 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 1.12 109.883 175.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 85.2 mt -57.77 -40.07 73.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.518 -0.765 . . . . 1.16 110.627 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 12.6 m120 -67.29 -45.96 75.03 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.855 0.317 . . . . 2.45 111.855 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.3 m -63.73 -47.75 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.506 0.67 . . . . 1.42 109.848 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CD2' HD13 ' A' ' 32' ' ' LEU . 2.0 m-85 -64.07 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 4.47 109.415 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 7.1 t60 -58.65 -50.73 72.79 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.394 0.678 . . . . 3.54 111.392 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 18' ' ' THR . 27.4 pt20 -62.35 -34.45 76.67 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.606 -0.438 . . . . 1.64 111.285 -176.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -80.21 -31.05 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.279 -0.569 . . . . 2.26 111.724 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.724 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 24.3 p -78.91 -33.13 45.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.379 0.609 . . . . 1.35 110.663 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.499 ' CA ' ' HB3' ' A' ' 29' ' ' PRO . 4.3 p -72.01 -4.4 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.485 -0.779 . . . . 1.26 111.029 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.1 mtpm? -64.86 -28.61 69.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.851 -0.613 . . . . 2.74 109.853 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.43 12.51 20.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.025 -0.534 . . . . 2.65 111.811 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.63 -129.05 9.72 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.772 -0.728 . . . . 1.43 111.683 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -59.36 112.04 4.62 Favored Pre-proline 0 CA--C 1.516 -0.358 0 N-CA-C 106.447 -1.686 . . . . 4.53 106.447 168.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 23' ' ' SER . 57.0 Cg_endo -75.42 37.96 0.53 Allowed 'Trans proline' 0 C--O 1.222 -0.277 0 N-CA-C 116.077 1.529 . . . . 3.25 116.077 -149.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.13 6.21 2.31 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 123.118 2.69 . . . . 2.56 114.54 -150.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.633 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -156.27 157.45 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.075 0.55 . . . . 1.92 111.697 -175.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HE3' ' A' ' 63' ' ' MET . 87.9 mt -100.52 120.89 40.69 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 1.23 108.362 161.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 4.0 m-20 -81.77 169.86 16.41 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.86 -0.736 . . . . 2.75 109.964 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -52.09 -39.71 60.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.063 0.394 . . . . 2.11 112.063 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.7 -39.0 49.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.46 111.715 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 7.4 mp0 -65.0 -42.06 94.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.353 -0.423 . . . . 2.0 110.464 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.56 -47.23 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.949 -0.569 . . . . 2.37 110.905 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 97.4 mttt -55.15 -48.43 73.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.95 110.452 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' HG2' ' CE ' ' A' ' 43' ' ' LYS . 29.1 tt0 -64.33 -41.58 96.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 1.74 110.673 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.91 -53.62 56.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 2.07 110.015 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 92.0 t -58.19 -38.47 68.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 120.865 0.364 . . . . 1.18 111.212 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 95.3 mtt180 -67.83 -29.65 68.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.924 0.713 . . . . 3.84 112.924 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.6 mtmp? -110.74 -36.09 5.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.522 0.564 . . . . 2.86 112.522 -174.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 9.0 m-20 -105.45 -31.52 8.97 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.967 -0.293 . . . . 1.88 111.541 -170.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 86.5 mt -101.36 5.53 42.26 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.758 0.423 . . . . 1.29 110.912 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 28.6 pt20 -51.04 -22.11 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 2.21 112.747 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.662 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 35.1 m-80 -97.55 -48.65 5.18 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.454 -0.573 . . . . 2.9 109.454 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -62.8 -36.42 83.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.734 0.778 . . . . 2.75 109.709 -176.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -112.21 22.66 14.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.332 -0.849 . . . . 1.36 110.892 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.662 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -43.0 22.5 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.208 0.317 . . . . 2.82 111.538 -175.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 1.6 mppt? -61.05 -47.48 86.2 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 122.567 1.175 . . . . 2.0 109.562 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 112.656 -2.065 . . . . 2.13 110.994 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.482 ' OD1' ' HG2' ' A' ' 42' ' ' ARG . 46.1 t30 -69.33 -17.02 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.371 0.605 . . . . 1.7 110.932 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -81.87 -5.11 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 3.82 110.085 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' OD1' ' HD3' ' A' ' 57' ' ' LYS . 35.7 t30 -127.61 147.1 50.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 1.95 109.794 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.5 mt-10 -86.83 -44.49 11.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 2.46 111.658 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' HD3' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -64.62 -29.27 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.697 -0.683 . . . . 3.01 111.882 -170.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.7 m -69.47 -39.72 78.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 1.43 111.132 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.25 -37.42 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.462 -0.57 . . . . 1.76 109.462 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt-10 -65.84 -35.18 79.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.519 -0.764 . . . . 1.86 110.509 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.87 -48.45 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 2.45 110.09 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' VAL . 47.4 mm -58.55 -36.86 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.739 0.78 . . . . 1.92 109.953 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.499 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 14.1 tpt -62.08 -50.35 72.3 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-N 113.688 -1.596 . . . . 1.27 111.387 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 30.6 tt0 -102.45 -28.0 12.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 114.238 -2.985 . . . . 2.37 108.806 -161.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.17 -38.86 71.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.352 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.0 -22.87 36.3 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.101 0.408 . . . . 1.87 112.101 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' OD2' ' HE3' ' A' ' 72' ' ' LYS . 17.3 t0 -66.5 78.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.621 0.724 . . . . 1.39 110.795 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.8 -21.38 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.156 -0.929 . . . . 2.54 110.157 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.64 -4.8 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 2.89 109.438 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.81 25.3 3.78 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.602 -1.181 . . . . 1.71 113.756 168.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -119.95 20.59 12.13 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.75 0.31 . . . . 1.95 111.203 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HE3' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 64.04 39.68 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.531 -0.759 . . . . 2.22 109.399 -177.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 25.8 mt-30 -138.5 141.32 39.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.569 -1.196 . . . . 2.32 109.493 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 54.7 mt -115.08 114.25 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.713 -0.477 . . . . 1.34 109.713 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.5 t -76.14 171.15 14.97 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.73 -0.841 . . . . 1.78 108.73 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.703 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 9.1 p90 -50.46 -39.26 47.37 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.318 0.488 . . . . 3.75 112.318 -174.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 80' ' ' ILE . 53.0 mt-10 -75.05 -32.52 61.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.067 0.395 . . . . 2.03 112.067 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.28 -45.98 52.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.08 -0.387 . . . . 3.18 110.805 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 1.8 p90 -72.97 -26.34 61.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.769 -0.772 . . . . 3.91 110.927 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 3.0 tp -69.84 -37.81 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.52 -0.472 . . . . 2.63 109.871 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.52 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.5 ttt -57.32 -30.31 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 2.19 110.271 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.4 tm? -65.69 -40.04 91.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.779 -0.452 . . . . 1.99 109.779 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.31 -30.59 68.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.218 0.532 . . . . 1.59 109.647 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB2' ' CG2' ' B' ' 80' ' ' ILE . . . -73.35 -38.02 65.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.816 -0.629 . . . . 1.16 110.639 177.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -62.93 -32.91 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.402 0.62 . . . . 2.07 109.338 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 40.6 mt -70.86 -33.64 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 2.16 109.951 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.7 m -65.92 -41.05 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.358 0.599 . . . . 1.2 110.079 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.618 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.5 t-105 -65.44 -35.95 82.44 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.52 -0.764 . . . . 4.33 109.448 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.53 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 1.84 110.814 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.3 t -69.09 -36.62 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.047 0.451 . . . . 2.14 109.803 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -62.81 -36.16 82.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 3.9 110.063 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.1 mm-40 -82.86 -26.28 31.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.464 -0.789 . . . . 3.3 111.286 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 108' ' ' GLY . 26.4 tptp -80.54 -17.0 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 6.1 109.373 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 57.5 ttp -63.23 -20.66 65.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.222 -0.899 . . . . 6.04 109.654 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.89 82.82 5.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 5.89 110.089 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.496 ' HB3' ' N ' ' A' ' 100' ' ' GLY . 9.6 tp10 -59.2 144.03 47.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 106.185 -1.783 . . . . 5.97 106.185 165.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.83 -51.91 32.21 Favored Glycine 0 CA--C 1.507 -0.429 0 C-N-CA 119.426 -1.369 . . . . 7.17 112.375 -160.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -122.67 -30.65 3.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.768 0.784 . . . . 9.86 112.605 158.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 42.6 mt-10 -77.65 21.55 0.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.086 0.773 . . . . 8.93 113.086 -165.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 96' ' ' GLU . . . -79.04 116.57 4.35 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 6.76 112.81 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 99' ' ' GLU . 51.2 Cg_exo -58.0 162.21 11.75 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.428 2.752 . . . . 7.95 111.439 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.36 -23.58 73.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.683 -0.77 . . . . 10.53 112.185 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -140.78 121.08 13.93 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.145 -1.057 . . . . 13.58 108.145 162.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -157.71 159.78 37.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.188 -0.301 . . . . 8.85 110.188 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -100.45 132.61 45.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.254 -1.017 . . . . 8.81 108.254 166.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 37.0 tptt -108.59 128.01 26.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.694 0.283 . . . . 6.51 111.036 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 106' ' ' LYS . 24.3 Cg_endo -73.13 160.78 44.74 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 123.635 2.89 . . . . 3.35 110.571 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 90.34 41.94 5.35 Favored Glycine 0 N--CA 1.424 -2.121 0 C-N-CA 117.953 -2.07 . . . . 3.44 114.465 163.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 93' ' ' LYS . 1.1 tm? -79.91 -40.34 28.44 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.902 -1.518 . . . . 2.4 106.902 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.72 -16.52 4.52 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 110.564 -1.014 . . . . 2.79 110.564 165.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.532 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 11.2 mt-10 -77.41 154.78 32.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.585 -0.807 . . . . 3.67 109.832 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.04 104.87 2.71 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 118.091 -2.004 . . . . 3.01 111.166 167.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 50.3 m -152.75 114.42 2.79 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 109.662 -0.496 . . . . 3.92 109.662 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.479 2.12 . . . . 5.37 112.269 179.443 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.967 0.413 . . . . 9.37 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.442 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 4.5 t -90.63 89.8 7.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.593 0.711 . . . . 7.37 111.31 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -140.25 55.18 1.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 5.48 110.469 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' B' ' 4' ' ' LYS . 0.6 OUTLIER -137.43 -138.47 0.14 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.308 -0.86 . . . . 2.87 108.692 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' B' ' 9' ' ' GLU . 2.0 ttt -152.81 130.65 11.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.671 -0.643 . . . . 3.29 110.858 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -86.95 174.73 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 1.66 110.117 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.43 -46.49 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 2.52 110.909 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 3.9 mm? -64.81 -45.61 85.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.591 . . . . 2.42 110.645 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 71.8 mt-10 -61.46 -46.58 89.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.269 -0.423 . . . . 2.28 111.083 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -59.55 -37.83 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 4.16 110.802 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.79 -45.32 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 2.21 110.347 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 79.2 mt -60.52 -47.93 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 1.06 110.757 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.49 -36.9 83.96 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.721 -0.218 . . . . 1.95 110.644 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -36.9 85.81 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.479 . . . . 0.96 110.584 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.579 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 44.1 mt -69.98 -44.59 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 1.13 109.938 174.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 85.6 mt -57.69 -40.37 75.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 115.468 -0.787 . . . . 1.16 110.593 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 12.4 m120 -66.94 -46.08 75.84 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.832 0.308 . . . . 2.45 111.832 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 31.5 m -63.59 -48.0 79.16 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.513 0.673 . . . . 1.41 109.9 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.417 ' CD2' HD13 ' B' ' 32' ' ' LEU . 2.0 m-85 -64.0 -33.88 76.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.482 -0.781 . . . . 4.47 109.502 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' B' ' 17' ' ' ASN . 7.0 t60 -58.85 -50.83 72.53 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.402 0.681 . . . . 3.55 111.305 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' B' ' 18' ' ' THR . 27.5 pt20 -62.2 -34.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.645 -0.422 . . . . 1.64 111.343 -176.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -80.19 -30.94 38.79 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.32 -0.552 . . . . 2.25 111.761 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.721 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.9 p -78.91 -33.49 45.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.365 0.603 . . . . 1.35 110.635 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.495 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 4.3 p -71.54 -4.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.525 -0.761 . . . . 1.26 111.169 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.503 ' HB3' ' HZ1' ' B' ' 25' ' ' LYS . 9.1 mtpm? -64.59 -29.04 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.895 -0.593 . . . . 2.74 109.847 176.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.405 HD22 ' N ' ' B' ' 26' ' ' LEU . 2.9 mm? -90.94 12.39 19.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 2.65 111.779 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 -129.12 9.74 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.69 -0.767 . . . . 1.43 111.743 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -59.33 112.38 5.09 Favored Pre-proline 0 CA--C 1.517 -0.317 0 N-CA-C 106.42 -1.696 . . . . 4.53 106.42 168.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.721 ' O ' ' HB2' ' B' ' 23' ' ' SER . 55.8 Cg_endo -75.65 38.24 0.56 Allowed 'Trans proline' 0 C--O 1.223 -0.267 0 N-CA-C 116.21 1.581 . . . . 3.25 116.21 -150.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.35 6.02 2.55 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 123.135 2.698 . . . . 2.56 114.504 -149.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.632 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -156.22 157.21 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.137 0.575 . . . . 1.92 111.777 -175.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' B' ' 19' ' ' PHE . 86.3 mt -100.1 120.92 40.6 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.5 -0.926 . . . . 1.23 108.5 161.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 3.8 m-20 -81.79 169.54 16.78 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.895 -0.722 . . . . 2.74 109.961 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.65 -40.17 59.48 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.985 0.365 . . . . 2.11 111.985 -171.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.29 -38.85 53.12 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.737 -0.744 . . . . 0.46 111.808 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.447 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 7.6 mp0 -65.39 -42.07 93.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.368 -0.416 . . . . 2.01 110.408 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 2.37 110.967 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 97.3 mttt -55.02 -48.76 72.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.299 -0.41 . . . . 1.95 110.428 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' CE ' ' B' ' 43' ' ' LYS . 28.7 tt0 -63.99 -41.62 97.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 1.75 110.765 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.93 -53.69 55.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.902 -0.407 . . . . 2.07 109.902 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.568 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.2 t -58.2 -38.38 67.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 120.903 0.382 . . . . 1.18 111.172 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 95.5 mtt180 -67.9 -29.63 68.77 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.954 0.724 . . . . 3.84 112.954 -173.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.501 ' CE ' ' HG2' ' B' ' 39' ' ' GLU . 5.6 mtmp? -110.61 -36.09 5.83 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.349 0.499 . . . . 2.86 112.349 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 8.6 m-20 -105.48 -31.33 9.04 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.932 -0.307 . . . . 1.87 111.522 -170.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 86.6 mt -101.5 5.52 41.92 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.363 0.414 . . . . 1.29 110.794 173.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 28.5 pt20 -50.93 -22.18 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.371 -0.832 . . . . 2.21 112.767 -174.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.68 ' O ' ' HD2' ' B' ' 50' ' ' LYS . 35.0 m-80 -97.58 -48.75 5.13 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.394 -0.595 . . . . 2.9 109.394 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.44 ' CD2' HD11 ' B' ' 109' ' ' LEU . 0.3 OUTLIER -62.7 -36.32 82.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.788 0.804 . . . . 2.75 109.74 -176.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -112.31 22.68 14.46 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.36 -0.837 . . . . 1.36 110.817 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.68 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -42.97 22.46 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.233 0.333 . . . . 2.81 111.51 -175.676 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.585 ' N ' ' HG2' ' B' ' 50' ' ' LYS . 1.6 mppt? -61.2 -47.24 87.03 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.669 1.223 . . . . 2.0 109.62 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.6 -31.88 63.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 112.658 -2.065 . . . . 2.13 110.939 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.481 ' OD1' ' HG2' ' B' ' 42' ' ' ARG . 45.4 t30 -69.16 -17.06 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 1.7 110.864 -173.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -81.85 -5.0 57.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.041 -0.527 . . . . 3.82 110.156 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -127.85 147.27 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.641 -0.503 . . . . 1.95 109.641 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 38.5 mt-10 -87.11 -44.39 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 2.46 111.588 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -29.25 70.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.697 -0.683 . . . . 3.01 111.8 -170.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 62' ' ' ILE . 1.6 m -69.52 -39.84 78.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.145 -0.479 . . . . 1.42 111.056 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.406 HG21 ' HA ' ' B' ' 38' ' ' LYS . 30.7 mm -64.15 -37.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.395 -0.595 . . . . 1.76 109.395 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 27.5 mt-10 -65.86 -35.28 80.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.548 -0.751 . . . . 1.85 110.597 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.74 -48.42 71.96 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.353 -0.385 . . . . 2.45 110.053 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 58' ' ' VAL . 47.3 mm -58.57 -36.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.657 0.741 . . . . 1.92 109.958 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.488 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 14.1 tpt -62.35 -49.98 73.42 Favored 'General case' 0 N--CA 1.42 -1.943 0 CA-C-N 113.641 -1.618 . . . . 1.26 111.379 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 30.3 tt0 -102.81 -27.88 12.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 114.342 -2.943 . . . . 2.36 108.816 -161.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.09 -39.32 71.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.331 -0.395 . . . . 1.93 110.342 169.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -81.74 -22.72 37.12 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.094 0.405 . . . . 1.87 112.094 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.5 ' OD2' ' HE3' ' B' ' 72' ' ' LYS . 16.9 t0 -66.76 78.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.713 0.768 . . . . 1.4 110.804 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.17 -21.65 64.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.161 -0.927 . . . . 2.54 110.09 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -86.61 -4.64 59.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 2.89 109.336 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.68 25.51 3.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.723 -1.126 . . . . 1.71 113.792 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.01 20.08 12.2 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.748 0.309 . . . . 1.95 111.131 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.5 ' HE3' ' OD2' ' B' ' 67' ' ' ASP . 0.0 OUTLIER 64.63 39.29 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.566 -0.743 . . . . 2.22 109.482 -177.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.632 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.0 mt-30 -138.37 141.38 39.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.632 -1.167 . . . . 2.32 109.359 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.488 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 54.8 mt -115.13 114.18 24.96 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.643 -0.503 . . . . 1.34 109.643 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -76.48 171.32 14.8 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.717 -0.845 . . . . 1.78 108.717 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.7 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 9.4 p90 -50.46 -39.37 47.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.338 0.495 . . . . 3.75 112.338 -174.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 80' ' ' ILE . 55.3 mt-10 -75.04 -32.63 61.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.033 0.382 . . . . 2.04 112.033 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.17 -45.74 54.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.82 -0.352 . . . . 3.18 110.871 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.7 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 1.7 p90 -73.11 -26.27 61.18 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 119.663 -0.815 . . . . 3.91 110.823 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.52 ' HB ' ' O ' ' B' ' 76' ' ' PHE . 3.0 tp -69.9 -37.83 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.469 -0.492 . . . . 2.62 109.802 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.517 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 21.7 ttt -57.31 -30.34 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 2.19 110.255 172.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.4 tm? -65.57 -40.05 92.33 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.771 -0.455 . . . . 1.99 109.771 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.35 -30.69 68.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.579 -0.526 . . . . 1.59 109.579 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . . . -73.35 -37.9 65.93 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.86 -0.609 . . . . 1.15 110.64 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.8 mtp180 -63.08 -32.57 73.97 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.357 -0.608 . . . . 2.07 109.357 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 41.4 mt -71.09 -33.77 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.771 . . . . 2.16 109.908 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 55.2 m -65.82 -40.92 92.28 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.328 0.585 . . . . 1.2 110.145 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.627 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.5 t-105 -65.41 -35.91 82.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.517 -0.765 . . . . 4.33 109.374 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.51 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 1.84 110.679 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 33.4 t -69.15 -36.49 77.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 2.13 109.893 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.8 -35.87 81.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 3.9 110.109 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 12.0 mm-40 -83.14 -26.33 31.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.444 -0.798 . . . . 3.29 111.308 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' B' ' 108' ' ' GLY . 26.4 tptp -80.38 -17.08 52.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.38 0.609 . . . . 6.1 109.426 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 57.8 ttp -63.43 -20.04 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.019 -0.991 . . . . 6.04 109.738 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -79.16 82.63 5.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 5.89 110.104 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.499 ' HB3' ' N ' ' B' ' 100' ' ' GLY . 9.2 tp10 -59.23 143.8 48.02 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 106.228 -1.768 . . . . 5.97 106.228 165.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.9 -51.44 34.36 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 119.446 -1.359 . . . . 7.19 112.452 -160.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -122.83 -30.66 3.79 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 117.751 0.776 . . . . 9.86 112.739 158.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.472 ' O ' ' HD3' ' B' ' 101' ' ' PRO . 43.2 mt-10 -77.89 21.79 0.3 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.171 0.804 . . . . 8.93 113.171 -165.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . 0.499 ' N ' ' HB3' ' B' ' 96' ' ' GLU . . . -79.44 116.25 4.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.663 -0.78 . . . . 6.77 112.704 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' B' ' 99' ' ' GLU . 53.0 Cg_exo -57.92 162.28 11.43 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.423 2.748 . . . . 7.97 111.3 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.52 -23.32 73.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.618 -0.801 . . . . 10.54 112.124 -169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.8 121.1 13.93 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.065 -1.087 . . . . 13.58 108.065 162.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -157.77 159.69 37.06 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 8.86 110.15 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -100.56 132.16 46.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.368 -0.975 . . . . 8.81 108.368 166.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 93' ' ' LYS . 36.6 tptt -108.24 127.94 26.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 6.52 111.198 -172.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.424 ' HD2' ' HD2' ' B' ' 106' ' ' LYS . 26.4 Cg_endo -72.92 160.82 45.14 Favored 'Trans proline' 0 CA--C 1.505 -0.968 0 C-N-CA 123.681 2.921 . . . . 3.36 110.633 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 90.44 41.68 5.39 Favored Glycine 0 N--CA 1.425 -2.087 0 C-N-CA 117.965 -2.064 . . . . 3.43 114.55 163.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' B' ' 93' ' ' LYS . 1.0 OUTLIER -79.96 -40.44 28.06 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.789 -1.56 . . . . 2.41 106.789 168.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.74 -16.48 4.53 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.622 -0.991 . . . . 2.79 110.622 165.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.527 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 11.0 mt-10 -77.3 155.2 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.585 -0.808 . . . . 3.68 109.917 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.52 104.66 2.63 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 118.206 -1.949 . . . . 3.02 111.138 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 55.4 m -152.92 114.03 2.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.751 -0.463 . . . . 3.92 109.751 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 C--O 1.247 0.973 0 C-N-CA 122.563 2.176 . . . . 5.38 112.281 179.821 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.386 0.612 . . . . 9.36 110.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -129.18 111.9 13.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.296 -0.411 . . . . 7.37 110.342 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -70.3 107.16 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.673 -0.491 . . . . 5.47 109.673 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -150.67 6.53 0.54 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.111 -0.495 . . . . 2.88 111.136 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.524 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 32.3 mtt -38.84 139.91 0.41 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 124.094 0.872 . . . . 3.29 112.987 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -75.54 176.21 7.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.367 -1.288 . . . . 1.65 109.411 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.76 -45.38 82.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 2.51 110.216 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 tp -62.56 -46.04 90.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.54 -0.755 . . . . 2.42 110.992 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 84.7 mt-10 -64.81 -49.7 69.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.191 -0.459 . . . . 2.29 111.975 -174.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 10' ' ' ARG . 56.2 mtt180 -60.99 -34.44 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.986 0.422 . . . . 4.15 110.365 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -68.96 -41.29 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 2.22 110.739 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 8' ' ' LEU . 64.6 mt -62.48 -47.18 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.734 -0.469 . . . . 1.05 109.734 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -58.43 -40.46 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.595 -0.729 . . . . 1.95 110.177 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -68.6 -39.54 80.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.433 -0.349 . . . . 0.96 111.222 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 HG21 HD13 ' B' ' 8' ' ' LEU . 43.4 mt -62.49 -44.04 98.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.286 0.565 . . . . 1.12 109.938 174.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.71 -38.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 1.16 110.044 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.15 -41.11 86.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.606 -0.724 . . . . 2.45 110.451 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' ' HD2' ' A' ' 22' ' ' TYR . 43.4 m -62.3 -50.26 72.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.118 0.485 . . . . 1.42 110.148 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.62 -47.32 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 4.47 109.282 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.15 -46.35 82.81 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.837 -1.074 . . . . 3.54 112.368 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -66.49 -35.63 80.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.68 -0.408 . . . . 1.64 111.229 -175.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 90.0 m-85 -78.52 -32.82 48.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.446 -0.502 . . . . 2.26 110.67 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.669 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 25.5 p -78.89 -35.66 43.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.379 0.609 . . . . 1.35 111.013 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.564 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 4.8 p -71.49 -5.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.51 -0.768 . . . . 1.26 111.072 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HZ1' ' HA ' ' A' ' 22' ' ' TYR . 49.8 mttp -62.5 -23.01 66.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.511 -0.768 . . . . 2.74 109.753 172.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.68 -5.6 41.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.969 -0.56 . . . . 2.65 112.222 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.89 -123.76 6.01 Favored Glycine 0 N--CA 1.463 0.439 0 C-N-CA 120.953 -0.641 . . . . 1.43 111.609 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -63.35 105.15 0.6 Allowed Pre-proline 0 CA--C 1.516 -0.341 0 N-CA-C 106.438 -1.69 . . . . 4.53 106.438 167.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.669 ' O ' ' HB2' ' A' ' 23' ' ' SER . 36.8 Cg_endo -76.83 48.24 2.4 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 N-CA-C 115.681 1.377 . . . . 3.25 115.681 -149.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.66 -7.02 45.33 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 123.487 2.858 . . . . 2.56 112.212 -149.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.589 ' CB ' ' HB3' ' A' ' 73' ' ' GLN . 59.8 p -154.13 161.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.636 0.774 . . . . 1.92 110.419 -168.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 60.5 mt -99.59 121.48 41.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.947 -0.76 . . . . 1.23 108.947 163.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.548 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . 12.1 t-20 -79.69 163.99 24.09 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.058 -1.057 . . . . 2.75 109.168 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.428 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 24.3 tt0 -51.53 -37.83 51.25 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.1 0.407 . . . . 2.11 112.1 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.23 43.78 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.68 -0.772 . . . . 0.46 111.466 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 33' ' ' ASN . 3.9 mp0 -63.02 -44.41 96.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.503 . . . . 2.0 110.408 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.49 -44.11 83.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.034 -0.53 . . . . 2.37 111.496 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -54.21 -48.25 71.25 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.359 -0.608 . . . . 1.95 109.359 178.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' OE2' ' HD2' ' A' ' 42' ' ' ARG . 1.5 tp10 -62.76 -42.9 99.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.902 -1.045 . . . . 1.74 110.71 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 2.07 109.773 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.563 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 90.6 t -69.99 -37.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.049 -0.523 . . . . 1.18 111.111 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 91.5 mtt180 -61.92 -31.3 71.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.859 0.318 . . . . 3.84 111.859 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -118.51 -30.89 5.06 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.205 0.817 . . . . 2.86 113.205 -170.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 5.0 m-20 -105.98 -33.55 7.88 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.125 -0.63 . . . . 1.88 112.352 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 95.2 mt -101.6 5.02 41.45 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.996 0.426 . . . . 1.29 111.303 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.472 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 4.0 pt20 -51.6 -23.36 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.347 -0.842 . . . . 2.21 113.072 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.477 ' HB3' ' OE2' ' B' ' 9' ' ' GLU . 51.0 t30 -106.77 -39.02 5.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.277 0.561 . . . . 2.9 110.39 -173.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' HB2' ' HG2' ' B' ' 9' ' ' GLU . 0.1 OUTLIER -73.79 -35.71 64.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.62 0.724 . . . . 2.75 109.476 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.57 22.17 15.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.045 -0.98 . . . . 1.36 110.479 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.525 ' NZ ' ' HA2' ' A' ' 110' ' ' GLY . 10.7 ptpp? -48.49 -39.69 23.96 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.246 0.341 . . . . 2.82 111.675 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 1.3 mtmp? -58.53 -42.9 88.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 2.0 110.78 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.419 -0.81 . . . . 2.13 110.333 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.463 HD22 ' HA ' ' A' ' 42' ' ' ARG . 27.4 t-20 -63.85 -16.65 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.7 111.307 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.3 mtpp -81.92 -6.38 59.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.536 . . . . 3.82 110.729 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.39 143.28 37.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.093 -0.706 . . . . 1.95 109.093 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.47 -29.33 15.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.06 0.457 . . . . 2.46 110.621 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.11 -26.61 65.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.802 -0.635 . . . . 3.01 110.529 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.73 -36.94 60.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.461 -0.57 . . . . 1.43 109.461 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' A' ' 63' ' ' MET . 29.8 mm -64.75 -37.43 80.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.804 -0.634 . . . . 1.76 109.429 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.77 -35.11 80.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.86 111.054 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 22.2 m-70 -65.62 -49.29 69.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.973 -0.291 . . . . 2.45 111.12 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.65 -39.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.818 0.818 . . . . 1.92 109.087 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.576 ' HE1' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.81 -48.94 79.52 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 113.328 -1.76 . . . . 1.27 111.858 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 39.8 mt-10 -111.32 -29.58 7.76 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 115.371 -2.532 . . . . 2.37 110.973 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 62.7 m-20 -57.44 -33.16 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.987 -0.685 . . . . 1.93 109.711 170.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HB3' ' CG ' ' A' ' 78' ' ' GLU . 55.5 mt -95.16 -13.26 25.18 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 112.771 0.656 . . . . 1.87 112.771 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.538 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 t0 -59.5 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.544 1.164 . . . . 1.39 110.038 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.7 -24.35 64.48 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.164 -1.835 . . . . 2.54 111.451 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -88.07 -5.08 58.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.023 -0.732 . . . . 2.89 109.023 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.44 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.761 -1.109 . . . . 1.71 112.688 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 33.8 m-20 -116.48 16.89 15.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.53 -0.304 . . . . 1.95 111.326 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.561 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.46 40.25 4.75 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.291 -1.003 . . . . 2.22 108.291 -173.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.589 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 99.0 mt-30 -142.75 138.31 30.39 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.385 -1.28 . . . . 2.32 110.129 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.686 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 14.3 mt -101.41 116.22 32.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.488 -0.323 . . . . 1.34 110.651 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 p -79.0 160.76 27.04 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.649 -0.5 . . . . 1.78 109.649 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -50.74 -36.22 35.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.701 0.286 . . . . 3.75 111.267 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.13 -30.81 63.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.889 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.686 ' OE1' ' HB3' ' A' ' 74' ' ' LEU . 8.5 tm-20 -74.39 -50.76 17.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.176 -0.609 . . . . 3.18 109.844 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 83' ' ' MET . 88.2 t80 -57.63 -38.45 75.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.325 0.583 . . . . 3.91 110.337 -174.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.575 ' CG2' ' HB1' ' B' ' 84' ' ' ALA . 1.7 tp -68.19 -45.13 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 115.534 -0.757 . . . . 2.63 109.989 178.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -36.22 73.82 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.515 0.326 . . . . 2.19 110.712 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.84 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.971 -0.752 . . . . 1.99 108.971 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 30.7 mmt -59.82 -30.93 69.26 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.701 -0.681 . . . . 1.59 110.3 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HB1' ' CG2' ' B' ' 80' ' ' ILE . . . -73.91 -44.53 54.84 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.87 0.367 . . . . 1.16 110.714 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.05 -37.48 77.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.934 -0.765 . . . . 2.07 108.934 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.3 -31.78 64.24 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.747 -1.115 . . . . 2.16 110.475 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.6 m -63.97 -48.16 77.55 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.526 -0.47 . . . . 1.2 111.043 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -83.33 -37.52 23.28 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.993 -0.683 . . . . 4.33 110.312 -174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 94' ' ' MET . . . -67.45 -51.13 55.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.499 . . . . 1.84 111.073 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.545 ' HB2' HD13 ' A' ' 109' ' ' LEU . 92.8 p -80.01 -44.35 20.33 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 120.005 -0.678 . . . . 2.14 111.539 -174.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.02 -43.01 22.7 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.038 -0.528 . . . . 3.9 110.131 -166.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.65 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 19.9 tt0 -98.71 -22.9 15.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.848 -0.741 . . . . 3.3 112.477 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -117.63 -23.8 7.51 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 117.018 2.229 . . . . 6.1 117.018 -172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.664 ' HG2' ' O ' ' A' ' 89' ' ' ALA . 22.2 mmt -94.26 -39.99 10.22 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 116.962 -1.895 . . . . 6.04 113.537 -165.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -109.29 67.45 0.65 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.777 -0.577 . . . . 5.89 109.89 168.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -114.85 160.11 19.86 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 122.533 1.159 . . . . 5.97 113.508 -173.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.87 -4.04 3.93 Favored Glycine 0 C--N 1.318 -0.444 0 CA-C-N 112.728 -2.033 . . . . 7.17 111.446 166.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' A' ' 96' ' ' GLU . 23.8 t70 -64.0 -0.15 1.05 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.874 1.27 . . . . 9.86 112.505 -168.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.97 -20.74 65.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.245 0.545 . . . . 8.93 109.686 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.89 74.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.435 -0.802 . . . . 6.76 111.17 164.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 66.9 Cg_endo -82.38 157.82 17.04 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.899 3.066 . . . . 7.95 113.706 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.05 -58.11 1.62 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 107.504 -2.238 . . . . 10.53 107.504 156.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -148.7 128.5 13.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.8 -1.556 . . . . 13.58 106.8 160.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -147.81 156.04 42.3 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.823 -0.751 . . . . 8.85 112.366 -174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -147.12 135.51 21.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 8.81 108.734 170.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -136.95 132.66 18.36 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.498 . . . . 6.51 112.281 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.437 ' CG ' ' HB ' ' A' ' 113' ' ' THR . 77.0 Cg_endo -70.39 163.25 39.45 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 124.516 3.477 . . . . 3.35 112.008 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.579 ' HA2' ' HB2' ' A' ' 111' ' ' GLU . . . 92.94 47.86 3.03 Favored Glycine 0 N--CA 1.418 -2.505 0 C-N-CA 117.576 -2.249 . . . . 3.44 115.543 159.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 90' ' ' SER . 0.9 OUTLIER -77.52 -22.27 51.43 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.887 -1.153 . . . . 2.4 107.887 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.525 ' HA2' ' NZ ' ' A' ' 50' ' ' LYS . . . -119.85 -16.9 4.79 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 109.954 -1.259 . . . . 2.79 109.954 168.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.579 ' HB2' ' HA2' ' A' ' 108' ' ' GLY . 7.7 mm-40 -102.21 157.12 17.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.177 -0.511 . . . . 3.67 110.958 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.8 106.88 2.89 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 118.395 -1.86 . . . . 3.01 110.895 169.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 107' ' ' PRO . 28.3 m -146.67 124.36 6.03 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 110.067 -0.346 . . . . 3.92 110.067 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.245 0.839 0 C-N-CA 122.975 2.45 . . . . 5.37 111.928 177.206 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.357 0.599 . . . . 9.37 110.054 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 30.5 m -129.48 111.81 13.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 7.37 110.457 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -70.13 106.79 3.4 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.819 -0.437 . . . . 5.48 109.819 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -150.53 6.78 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 2.87 111.037 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.528 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 31.7 mtt -39.18 139.84 0.47 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.048 0.842 . . . . 3.29 113.01 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -75.46 176.13 7.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.51 -1.223 . . . . 1.66 109.46 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.79 -45.25 82.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.418 . . . . 2.52 110.13 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.57 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.2 tp -62.57 -46.18 89.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 2.42 110.935 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 84.2 mt-10 -64.65 -49.72 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 2.28 111.987 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -61.14 -34.39 74.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 4.16 110.218 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -68.91 -41.3 78.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 2.21 110.66 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 65.3 mt -62.54 -47.2 94.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.729 -0.471 . . . . 1.06 109.729 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -58.45 -40.54 82.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.598 -0.728 . . . . 1.95 110.054 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.5 m -68.54 -39.36 81.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.461 -0.336 . . . . 0.96 111.332 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 8' ' ' LEU . 43.7 mt -62.76 -43.73 98.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 121.261 0.553 . . . . 1.13 109.968 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.84 -38.03 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.12 -0.945 . . . . 1.16 109.999 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -67.31 -41.07 85.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.525 -0.761 . . . . 2.45 110.388 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.7 m -62.15 -50.33 72.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.191 0.519 . . . . 1.41 110.179 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.81 -47.18 71.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.775 -0.648 . . . . 4.47 109.284 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -57.22 -46.39 82.98 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 114.852 -1.067 . . . . 3.55 112.38 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -66.54 -35.53 80.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.094 0.406 . . . . 1.64 111.21 -175.286 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.568 ' N ' ' HG3' ' B' ' 21' ' ' GLN . 90.3 m-85 -78.6 -32.74 47.69 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.525 -0.47 . . . . 2.25 110.747 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.664 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.7 p -78.95 -35.72 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.352 0.596 . . . . 1.35 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 4.9 p -71.63 -5.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.73 . . . . 1.26 110.924 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.421 ' HZ1' ' HA ' ' B' ' 22' ' ' TYR . 50.5 mttp -62.93 -22.85 67.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.742 . . . . 2.74 109.719 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.86 -5.14 42.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.884 -0.598 . . . . 2.65 112.227 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.95 -124.48 6.37 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 120.97 -0.633 . . . . 1.43 111.552 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -62.34 105.24 0.59 Allowed Pre-proline 0 N--CA 1.465 0.3 0 N-CA-C 106.462 -1.681 . . . . 4.53 106.462 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.664 ' O ' ' HB2' ' B' ' 23' ' ' SER . 35.5 Cg_endo -77.02 48.32 2.47 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 N-CA-C 115.699 1.384 . . . . 3.25 115.699 -149.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.82 -6.94 45.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 123.473 2.851 . . . . 2.56 112.2 -149.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.584 ' CB ' ' HB3' ' B' ' 73' ' ' GLN . 67.2 p -154.04 162.12 41.43 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.639 0.776 . . . . 1.92 110.54 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' B' ' 74' ' ' LEU . 59.7 mt -99.75 121.42 41.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.959 -0.756 . . . . 1.23 108.959 163.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.558 ' HB3' ' OE2' ' B' ' 36' ' ' GLU . 11.8 t-20 -79.73 163.91 24.12 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.022 -1.071 . . . . 2.74 109.126 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' HG3' ' B' ' 63' ' ' MET . 24.0 tt0 -51.41 -37.69 49.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.987 0.366 . . . . 2.11 111.987 -172.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.09 -42.65 43.12 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.76 -0.733 . . . . 0.46 111.539 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.558 ' OE2' ' HB3' ' B' ' 33' ' ' ASN . 3.4 mp0 -62.82 -44.5 95.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.15 -0.525 . . . . 2.01 110.292 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -66.48 -44.16 83.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 2.37 111.497 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -54.11 -48.2 71.01 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.361 -0.607 . . . . 1.95 109.361 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' OE2' ' HD2' ' B' ' 42' ' ' ARG . 1.4 tp10 -62.92 -42.67 99.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.872 -1.058 . . . . 1.75 110.815 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.74 -46.9 77.71 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.072 -0.513 . . . . 2.07 109.706 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.6 t -70.01 -37.38 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.063 -0.517 . . . . 1.18 111.139 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' B' ' 38' ' ' LYS . 91.6 mtt180 -62.01 -31.22 71.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.587 -0.278 . . . . 3.84 111.737 -174.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -118.48 -31.08 5.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.199 0.815 . . . . 2.86 113.199 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 5.5 m-20 -105.74 -33.65 7.95 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.161 -0.615 . . . . 1.87 112.345 -175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.552 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 95.3 mt -101.52 5.0 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.103 0.478 . . . . 1.29 111.399 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 4.0 pt20 -51.56 -23.19 3.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.261 -0.881 . . . . 2.21 113.087 -174.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.485 ' HB3' ' OE2' ' A' ' 9' ' ' GLU . 51.2 t30 -106.97 -39.11 5.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.193 0.521 . . . . 2.9 110.414 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.435 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -73.69 -35.71 65.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.565 0.698 . . . . 2.75 109.565 179.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.8 mt -110.61 22.26 15.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.041 -0.981 . . . . 1.36 110.608 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.525 ' NZ ' ' HA2' ' B' ' 110' ' ' GLY . 10.7 ptpp? -48.54 -39.8 24.72 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.128 0.268 . . . . 2.81 111.666 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' B' ' 51' ' ' LYS . 1.3 mtmp? -58.22 -43.23 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.298 0.57 . . . . 2.0 110.779 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.54 -33.17 64.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.495 -0.775 . . . . 2.13 110.334 175.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.467 HD22 ' HA ' ' B' ' 42' ' ' ARG . 27.2 t-20 -63.67 -16.69 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.296 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.3 mtpp -81.94 -6.25 58.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.025 -0.534 . . . . 3.82 110.822 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -139.52 143.31 37.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.075 -0.713 . . . . 1.95 109.075 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.49 -29.16 15.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 2.46 110.553 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.2 -26.74 65.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 3.01 110.579 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.64 -37.1 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.408 -0.589 . . . . 1.42 109.408 174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' B' ' 63' ' ' MET . 29.3 mm -64.49 -37.68 80.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.76 109.533 175.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.62 -34.88 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.847 -0.615 . . . . 1.85 111.065 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 22.4 m-70 -65.83 -49.39 68.39 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.984 -0.286 . . . . 2.45 111.159 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 78.3 mt -58.56 -39.19 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.794 0.807 . . . . 1.92 109.127 174.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.568 ' HE1' ' CD2' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.66 -48.87 79.87 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 113.324 -1.762 . . . . 1.26 111.828 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.544 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 40.2 mt-10 -111.56 -29.65 7.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 115.41 -2.516 . . . . 2.36 111.02 -167.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 58.9 m-20 -57.11 -33.59 67.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.978 -0.689 . . . . 1.93 109.521 170.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.629 ' HB3' ' CG ' ' B' ' 78' ' ' GLU . 55.4 mt -94.95 -13.3 25.47 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.875 0.694 . . . . 1.87 112.875 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.544 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.0 t0 -59.41 87.55 0.01 OUTLIER 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.507 1.146 . . . . 1.4 110.009 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.94 -24.17 64.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 113.158 -1.837 . . . . 2.54 111.324 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -88.04 -5.25 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.143 -0.688 . . . . 2.89 109.143 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.26 26.58 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.602 -1.181 . . . . 1.71 112.653 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 35.6 m-20 -116.55 17.16 15.45 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.496 -0.32 . . . . 1.95 111.347 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.18 40.32 5.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.288 -1.005 . . . . 2.22 108.288 -174.076 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.584 ' HB3' ' CB ' ' B' ' 31' ' ' THR . 99.0 mt-30 -142.85 138.39 30.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.291 -1.322 . . . . 2.32 110.089 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.709 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 14.3 mt -101.57 116.05 31.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.332 -0.394 . . . . 1.34 110.594 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -78.93 160.82 27.08 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 109.679 -0.489 . . . . 1.78 109.679 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -50.67 -36.34 35.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.694 0.283 . . . . 3.75 111.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.34 -30.35 63.27 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.535 -0.302 . . . . 2.04 110.944 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.709 ' OE1' ' HB3' ' B' ' 74' ' ' LEU . 8.5 tm-20 -74.59 -50.82 16.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.171 -0.612 . . . . 3.18 109.838 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 83' ' ' MET . 88.3 t80 -57.64 -38.66 75.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.874 -0.603 . . . . 3.91 110.308 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.569 ' CG2' ' HB1' ' A' ' 84' ' ' ALA . 1.7 tp -68.1 -45.15 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.613 -0.721 . . . . 2.62 109.949 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -36.25 73.58 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.921 0.391 . . . . 2.19 110.767 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.87 -38.18 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.763 . . . . 1.99 108.941 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 30.7 mmt -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.736 -0.666 . . . . 1.59 110.288 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.575 ' HB1' ' CG2' ' A' ' 80' ' ' ILE . . . -73.92 -44.64 54.45 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.868 0.366 . . . . 1.15 110.722 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.03 -37.39 76.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.92 -0.77 . . . . 2.07 108.92 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.33 -31.89 64.26 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.728 -1.124 . . . . 2.16 110.526 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.3 m -64.03 -48.05 77.83 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.518 -0.473 . . . . 1.2 110.962 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -83.35 -37.53 23.23 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 4.33 110.363 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.655 ' O ' ' HG2' ' B' ' 94' ' ' MET . . . -67.31 -51.09 56.79 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 120.439 -0.505 . . . . 1.84 111.15 -174.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.552 ' HB2' HD13 ' B' ' 109' ' ' LEU . 93.7 p -80.15 -44.23 20.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.008 -0.677 . . . . 2.13 111.644 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.03 -42.99 22.69 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.978 -0.555 . . . . 3.9 110.229 -166.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 96' ' ' GLU . 19.8 tt0 -98.77 -22.95 15.6 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 119.858 -0.737 . . . . 3.29 112.434 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -117.58 -24.16 7.39 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.933 2.197 . . . . 6.1 116.933 -172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' B' ' 89' ' ' ALA . 22.2 mmt -93.98 -39.79 10.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 116.971 -1.892 . . . . 6.04 113.54 -165.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -109.41 67.27 0.65 Allowed 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.807 -0.558 . . . . 5.89 109.821 168.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' B' ' 92' ' ' GLU . 0.4 OUTLIER -115.01 159.61 20.57 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 122.317 1.056 . . . . 5.97 113.484 -173.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.5 -4.2 3.71 Favored Glycine 0 C--N 1.32 -0.331 0 CA-C-N 112.789 -2.005 . . . . 7.19 111.295 166.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' B' ' 96' ' ' GLU . 22.9 t70 -63.53 -0.23 0.89 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.942 1.297 . . . . 9.86 112.519 -168.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.86 -21.0 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.362 -0.607 . . . . 8.93 109.362 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.87 74.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.045 -0.822 . . . . 6.77 111.045 164.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 98' ' ' ASP . 67.4 Cg_endo -82.47 157.81 16.79 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.817 3.012 . . . . 7.97 113.653 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.9 -58.09 1.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 107.546 -2.221 . . . . 10.54 107.546 156.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -148.55 129.1 14.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.682 -1.599 . . . . 13.58 106.682 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -148.29 155.95 41.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.854 -0.738 . . . . 8.86 112.224 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -147.17 135.79 21.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.256 -0.884 . . . . 8.81 108.693 170.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -136.91 132.88 18.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.223 0.535 . . . . 6.52 112.163 -175.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.445 ' CG ' ' HB ' ' B' ' 113' ' ' THR . 76.5 Cg_endo -70.41 163.27 39.4 Favored 'Trans proline' 0 CA--C 1.502 -1.089 0 C-N-CA 124.449 3.433 . . . . 3.36 112.098 173.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.573 ' HA2' ' HB2' ' B' ' 111' ' ' GLU . . . 92.74 47.83 3.09 Favored Glycine 0 N--CA 1.421 -2.357 0 C-N-CA 117.411 -2.328 . . . . 3.43 115.661 159.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' B' ' 90' ' ' SER . 0.9 OUTLIER -77.37 -22.3 51.92 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.001 -1.111 . . . . 2.41 108.001 169.295 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.525 ' HA2' ' NZ ' ' B' ' 50' ' ' LYS . . . -119.82 -16.78 4.84 Favored Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 109.934 -1.267 . . . . 2.79 109.934 168.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.573 ' HB2' ' HA2' ' B' ' 108' ' ' GLY . 7.6 mm-40 -102.36 156.94 17.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.2 -0.5 . . . . 3.68 110.947 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.62 106.98 2.92 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 118.423 -1.846 . . . . 3.02 110.904 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' B' ' 107' ' ' PRO . 28.5 m -146.71 124.14 5.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.077 -0.342 . . . . 3.92 110.077 175.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 C--O 1.246 0.892 0 C-N-CA 122.883 2.389 . . . . 5.38 112.055 177.376 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.71 0.29 . . . . 9.36 110.581 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -94.04 146.41 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.7 -0.481 . . . . 7.37 109.7 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -153.34 -179.14 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.381 -0.229 . . . . 5.47 110.381 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -53.53 -47.5 69.89 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.182 0.301 . . . . 2.88 111.283 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.1 mtt -36.89 133.57 0.58 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.008 0.818 . . . . 3.29 112.786 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.517 ' HB3' ' OD2' ' B' ' 44' ' ' ASP . 18.9 t -87.01 179.51 6.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.266 -0.879 . . . . 1.65 110.57 -177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.33 -48.04 80.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.525 0.565 . . . . 2.51 112.525 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.685 ' O ' HG13 ' A' ' 12' ' ' ILE . 13.4 tp -67.38 -44.0 80.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.908 -0.775 . . . . 2.42 108.908 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.65 ' CD ' ' HB2' ' B' ' 48' ' ' PHE . 3.9 tp10 -55.96 -50.73 69.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.624 -1.171 . . . . 2.29 111.668 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 6' ' ' SER . 88.9 mtt180 -60.29 -37.72 81.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.824 -0.625 . . . . 4.15 109.983 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.542 ' ND2' ' HB ' ' B' ' 14' ' ' THR . 4.7 m-20 -69.1 -37.46 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.827 . . . . 2.22 111.1 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.685 HG13 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -62.12 -47.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 110.061 -0.348 . . . . 1.05 110.061 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -41.94 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 1.95 111.112 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.542 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 85.1 m -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.366 0.603 . . . . 0.96 110.164 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 11' ' ' ASN . 4.1 mt -64.57 -49.3 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 1.12 110.762 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.598 HD11 ' OG ' ' B' ' 90' ' ' SER . 93.3 mt -62.35 -39.64 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 1.16 110.697 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.695 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.2 m-80 -59.72 -40.62 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.392 -0.367 . . . . 2.45 110.589 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.693 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 73.1 m -63.43 -49.64 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.341 -0.391 . . . . 1.42 110.588 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CE2' ' HE1' ' A' ' 79' ' ' PHE . 10.5 m-30 -58.99 -52.54 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.877 0.37 . . . . 4.47 110.686 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.717 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 1.2 p-80 -71.07 -20.92 62.31 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 112.768 0.655 . . . . 3.54 112.768 -174.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.693 ' HG2' ' O ' ' A' ' 18' ' ' THR . 25.1 pt20 -73.54 -32.31 64.13 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.678 0.672 . . . . 1.64 110.225 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.458 ' HD1' ' O ' ' A' ' 18' ' ' THR . 79.6 m-85 -78.82 -33.73 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 2.26 110.594 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.717 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 57.5 p -79.62 -30.09 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.023 0.439 . . . . 1.35 111.032 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.604 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 6.0 p -66.4 -7.0 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.054 -0.521 . . . . 1.26 111.265 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 69.1 mttm -61.52 -29.02 69.73 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.396 -0.366 . . . . 2.74 110.067 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.71 13.11 15.05 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.851 0.686 . . . . 2.65 112.851 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.45 -121.26 6.91 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.506 -0.854 . . . . 1.43 111.368 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -60.5 122.13 65.47 Favored Pre-proline 0 CA--C 1.519 -0.226 0 N-CA-C 106.078 -1.823 . . . . 4.53 106.078 165.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HB2' ' OG ' ' A' ' 23' ' ' SER . 29.8 Cg_endo -76.65 62.02 7.06 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 C-N-CA 120.62 0.88 . . . . 3.25 113.235 -153.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -32.33 69.93 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 120.853 1.661 . . . . 2.56 113.141 -149.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.576 HG22 ' OE1' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -155.44 167.43 30.4 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 125.086 1.354 . . . . 1.92 108.495 -172.058 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.36 117.22 31.11 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.808 -1.182 . . . . 1.23 107.808 160.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.562 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 2.5 m-20 -85.41 -179.46 6.95 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.348 -0.941 . . . . 2.75 109.634 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.962 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 46.7 tt0 -50.15 -43.04 51.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.651 0.612 . . . . 2.11 112.651 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.05 -41.41 40.08 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.62 -0.8 . . . . 0.46 111.917 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.562 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 4.0 mp0 -67.33 -41.05 85.87 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.074 -0.563 . . . . 2.0 110.162 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HE2' ' O ' ' A' ' 59' ' ' ILE . 58.0 t80 -64.86 -49.98 68.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.846 . . . . 2.37 110.897 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -53.36 -45.47 69.18 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.025 -0.534 . . . . 1.95 110.703 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 24.8 tt0 -69.53 -44.69 70.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 1.74 111.677 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.46 -49.86 73.38 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.506 -0.553 . . . . 2.07 109.506 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.562 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -59.75 -37.13 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.398 0.618 . . . . 1.18 110.688 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 ttm180 -73.3 -29.96 63.07 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.539 -0.755 . . . . 3.84 111.947 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 56.5 mmtt -95.06 -50.52 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.265 0.468 . . . . 2.86 112.265 -172.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.612 ' CG ' ' HB3' ' B' ' 8' ' ' LEU . 1.9 t70 -103.18 -42.71 5.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.98 -0.688 . . . . 1.88 111.386 -172.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.633 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 89.8 mt -78.78 3.1 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 1.29 109.948 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.562 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.7 pt20 -51.0 -21.95 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.908 -1.042 . . . . 2.21 111.412 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.692 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 7.4 p30 -103.14 -47.08 4.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.617 -0.265 . . . . 2.9 110.762 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.647 ' HB2' ' CD ' ' B' ' 9' ' ' GLU . 15.5 t80 -68.66 -35.26 77.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 122.057 0.932 . . . . 2.75 109.435 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.22 23.78 13.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.568 -1.196 . . . . 1.36 110.041 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 18.8 ptpt -47.5 -50.25 23.83 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.319 0.387 . . . . 2.82 111.687 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.709 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -65.81 -32.15 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.357 0.599 . . . . 2.0 110.742 -176.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.709 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 34.3 tt0 -76.42 -33.77 58.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.13 110.407 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -69.38 -16.3 63.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.525 -0.761 . . . . 1.7 110.334 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.1 mtpp -82.2 -8.51 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 3.82 110.892 -177.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.63 146.33 50.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.072 0.463 . . . . 1.95 110.078 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -84.93 -44.46 13.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 2.46 111.367 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -67.37 -24.35 65.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 3.01 111.633 -173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 4.0 t -72.85 -40.41 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.568 . . . . 1.43 109.465 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 ' O ' ' HE2' ' A' ' 37' ' ' PHE . 19.7 mm -61.74 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.678 -0.86 . . . . 1.76 108.678 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 63' ' ' MET . 43.9 mt-10 -61.43 -34.55 75.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.736 -0.665 . . . . 1.86 111.344 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -60.12 -51.27 70.31 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.992 -0.283 . . . . 2.45 110.576 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.424 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 50.0 mt -69.32 -33.15 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.754 0.788 . . . . 1.92 109.936 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.962 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.6 tpt -53.51 -38.18 63.47 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.493 -1.685 . . . . 1.27 111.462 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 4.4 tm-20 -120.91 -29.92 4.51 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 114.673 -2.811 . . . . 2.37 110.988 -172.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.88 -33.93 69.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.05 -0.66 . . . . 1.93 110.235 172.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.97 -18.77 31.68 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.08 -0.388 . . . . 1.87 112.031 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.498 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 11.4 t70 -64.27 77.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 122.288 1.042 . . . . 1.39 110.949 -176.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -71.56 -21.84 61.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.858 -1.519 . . . . 2.54 110.001 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.23 -3.63 58.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.159 -0.682 . . . . 2.89 109.159 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.37 25.45 6.02 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.48 -1.237 . . . . 1.71 113.689 168.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 2.7 t70 -120.7 17.96 11.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.331 . . . . 1.95 110.703 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER 64.85 47.2 2.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.071 -1.085 . . . . 2.22 108.071 -171.208 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.576 ' OE1' HG22 ' A' ' 31' ' ' THR . 76.3 mt-30 -141.06 143.21 34.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.853 -1.521 . . . . 2.32 109.528 -173.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 52.5 mt -122.06 112.82 18.71 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.283 -0.636 . . . . 1.34 109.283 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -74.43 166.32 23.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.489 -0.93 . . . . 1.78 108.489 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 25.0 p90 -51.01 -38.26 50.22 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.015 -0.274 . . . . 3.75 111.566 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 80' ' ' ILE . 48.4 mt-10 -64.17 -41.33 97.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.73 0.3 . . . . 2.03 111.637 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.14 -44.16 63.56 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.457 0.646 . . . . 3.18 110.491 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.517 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 46.4 t80 -71.78 -28.35 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.141 -0.481 . . . . 3.91 110.955 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 77' ' ' GLU . 4.9 tp -67.82 -37.29 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 2.63 109.338 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.49 -35.46 68.02 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.28 -0.418 . . . . 2.19 110.073 172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 82' ' ' LEU . 3.1 tt -58.3 -41.8 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.435 -0.58 . . . . 1.99 109.435 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.477 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 34.5 mmt -59.14 -25.52 63.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 1.59 110.749 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.59 -35.34 60.6 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.951 0.405 . . . . 1.16 110.454 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.26 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.704 -0.85 . . . . 2.07 108.704 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.16 -34.24 77.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.057 -0.974 . . . . 2.16 109.871 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.5 m -65.04 -36.1 83.28 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.867 -0.333 . . . . 1.2 110.841 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.693 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.4 t-105 -66.17 -37.2 85.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.06 -0.656 . . . . 4.33 109.577 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.04 91.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 1.84 110.839 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.598 ' OG ' HD11 ' B' ' 16' ' ' ILE . 13.0 p -72.18 -23.89 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 2.14 110.939 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 33.1 t-80 -65.42 -33.25 75.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 3.9 109.194 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 7.0 mm-40 -75.3 -29.54 60.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.136 -0.938 . . . . 3.3 109.894 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -84.37 -6.67 59.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 6.1 109.87 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.492 ' SD ' ' HG3' ' B' ' 29' ' ' PRO . 28.2 ttt -70.96 -6.56 39.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.064 -0.516 . . . . 6.04 110.488 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -73.22 70.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.501 -1.666 . . . . 5.89 106.501 163.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 98' ' ' ASP . 10.4 tp10 -111.04 158.69 18.53 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.263 -1.335 . . . . 5.97 112.011 -161.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 96' ' ' GLU . . . -52.62 -5.3 0.2 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 113.58 -1.646 . . . . 7.17 113.126 167.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' A' ' 96' ' ' GLU . 27.3 t70 -65.34 -16.82 63.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.925 0.713 . . . . 9.86 112.925 -165.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.79 -22.61 63.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 122.141 0.972 . . . . 8.93 108.761 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 101' ' ' PRO . . . -80.59 -153.39 9.17 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 113.924 -1.489 . . . . 6.76 111.637 172.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 100' ' ' GLY . 10.1 Cg_endo -52.62 164.28 1.52 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.704 2.936 . . . . 7.95 112.39 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.55 -7.42 79.18 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 114.944 0.738 . . . . 10.53 114.944 -157.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -140.94 126.51 18.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.352 1.076 . . . . 13.58 110.646 169.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -150.69 151.99 33.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.46 -0.791 . . . . 8.85 108.951 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -130.5 127.43 39.16 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.287 -0.565 . . . . 8.81 109.952 169.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -78.51 108.78 8.6 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.153 -0.684 . . . . 6.51 109.153 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -67.57 158.23 58.11 Favored 'Trans proline' 0 CA--C 1.511 -0.649 0 C-N-CA 122.874 2.383 . . . . 3.35 112.359 -171.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.722 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 93.41 28.4 11.59 Favored Glycine 0 N--CA 1.428 -1.894 0 CA-C-N 115.24 -0.891 . . . . 3.44 113.873 168.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.2 tt -105.38 -43.24 5.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.269 -1.752 . . . . 2.4 106.269 162.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.692 ' HA2' ' O ' ' A' ' 47' ' ' ASN . . . -121.38 -16.24 4.33 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 114.579 -1.191 . . . . 2.79 110.431 171.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.722 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 2.9 mp0 -95.69 155.18 16.85 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.337 -0.932 . . . . 3.67 110.202 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.43 108.66 1.22 Allowed Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.361 -1.4 . . . . 3.01 111.817 169.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.8 p -112.94 139.4 22.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.088 -0.338 . . . . 3.92 110.088 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.835 2.357 . . . . 5.37 112.226 178.858 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.75 0.31 . . . . 9.37 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -93.22 146.46 23.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.751 -0.462 . . . . 7.37 109.751 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -153.28 -179.15 7.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.708 -0.224 . . . . 5.48 110.598 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.72 -46.76 70.92 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.258 0.349 . . . . 2.87 111.475 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 60.8 mtt -37.45 133.66 0.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.414 -0.812 . . . . 3.29 112.676 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.525 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 20.2 t -87.25 179.37 6.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 1.66 110.459 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.06 -48.05 79.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.676 0.621 . . . . 2.52 112.676 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.689 ' O ' HG13 ' B' ' 12' ' ' ILE . 13.4 tp -67.32 -44.04 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.966 -0.753 . . . . 2.42 108.966 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 48' ' ' PHE . 3.9 tp10 -55.98 -50.73 70.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.584 -1.189 . . . . 2.28 111.775 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' B' ' 6' ' ' SER . 89.2 mtt180 -60.19 -37.87 81.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.802 -0.635 . . . . 4.16 109.89 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.542 ' ND2' ' HB ' ' A' ' 14' ' ' THR . 4.7 m-20 -69.02 -37.43 78.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 2.21 111.132 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.689 HG13 ' O ' ' B' ' 8' ' ' LEU . 58.3 mt -62.2 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 110.062 -0.347 . . . . 1.06 110.062 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.386 . . . . 1.95 111.077 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.542 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 85.1 m -63.77 -37.78 88.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.285 0.564 . . . . 0.96 110.065 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 11' ' ' ASN . 4.1 mt -64.47 -49.46 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.72 -0.673 . . . . 1.13 110.674 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.598 HD11 ' OG ' ' A' ' 90' ' ' SER . 93.6 mt -62.45 -39.5 84.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.937 -0.574 . . . . 1.16 110.688 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.685 ' HA ' ' CE1' ' B' ' 20' ' ' HIS . 10.3 m-80 -59.66 -40.72 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.42 -0.355 . . . . 2.45 110.627 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.674 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 69.5 m -63.52 -49.53 73.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.357 -0.383 . . . . 1.41 110.582 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' HE1' ' B' ' 79' ' ' PHE . 10.6 m-30 -58.96 -52.49 65.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 4.47 110.69 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.716 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 1.2 p-80 -71.08 -20.91 62.3 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 112.776 0.658 . . . . 3.55 112.776 -174.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.674 ' HG2' ' O ' ' B' ' 18' ' ' THR . 25.2 pt20 -73.63 -32.29 63.97 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.647 0.658 . . . . 1.64 110.266 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.461 ' HD1' ' O ' ' B' ' 18' ' ' THR . 79.4 m-85 -78.86 -33.72 45.64 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.27 -0.572 . . . . 2.25 110.641 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.716 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 57.8 p -79.48 -30.24 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.35 111.043 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' B' ' 20' ' ' HIS . 5.9 p -66.64 -6.25 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.075 -0.511 . . . . 1.26 111.309 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 69.0 mttm -62.14 -28.78 69.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.343 -0.39 . . . . 2.74 110.119 178.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.97 13.16 15.45 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.884 0.698 . . . . 2.65 112.884 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.18 -121.21 6.93 Favored Glycine 0 N--CA 1.461 0.313 0 C-N-CA 120.605 -0.807 . . . . 1.43 111.322 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -60.92 122.11 66.72 Favored Pre-proline 0 CA--C 1.519 -0.234 0 N-CA-C 106.068 -1.827 . . . . 4.53 106.068 166.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.51 ' HB2' ' OG ' ' B' ' 23' ' ' SER . 30.3 Cg_endo -76.45 61.78 6.84 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 C-N-CA 120.63 0.887 . . . . 3.25 113.333 -153.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -70.44 -32.26 69.77 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 120.913 1.688 . . . . 2.56 113.129 -148.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.591 HG22 ' OE1' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -155.59 167.25 30.98 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 125.121 1.368 . . . . 1.92 108.458 -171.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.18 117.26 30.98 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.794 -1.187 . . . . 1.23 107.794 160.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.559 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 2.5 m-20 -85.02 -179.43 7.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.485 -0.886 . . . . 2.74 109.733 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.966 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 46.4 tt0 -50.3 -42.95 53.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.507 0.558 . . . . 2.11 112.507 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.12 -41.07 40.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.447 -0.882 . . . . 0.46 111.974 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.559 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.7 mp0 -67.66 -41.02 84.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 2.01 110.14 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.436 ' HE2' ' O ' ' B' ' 59' ' ' ILE . 57.8 t80 -64.89 -49.85 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.461 -0.79 . . . . 2.37 110.924 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -53.5 -45.37 69.65 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.95 110.652 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 24.3 tt0 -69.68 -44.56 70.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 1.75 111.785 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.56 -49.91 73.43 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.463 -0.569 . . . . 2.07 109.463 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.562 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.0 t -59.78 -37.02 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.439 0.638 . . . . 1.18 110.735 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 40.7 ttm180 -73.28 -30.14 63.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.513 -0.767 . . . . 3.84 111.815 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 56.6 mmtt -94.92 -50.57 5.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.275 0.472 . . . . 2.86 112.275 -172.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.613 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 1.9 t70 -103.11 -42.44 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.09 -0.644 . . . . 1.87 111.456 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 90.0 mt -78.95 3.1 18.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.341 0.591 . . . . 1.29 109.926 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.566 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.7 pt20 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.94 -1.027 . . . . 2.21 111.536 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.696 ' O ' ' HA2' ' B' ' 110' ' ' GLY . 7.4 p30 -102.83 -47.1 4.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.445 -0.343 . . . . 2.9 110.857 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.65 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 15.6 t80 -68.68 -35.41 77.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 122.056 0.932 . . . . 2.75 109.517 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -108.0 23.81 13.91 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.392 -1.276 . . . . 1.36 110.024 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 18.8 ptpt -47.46 -50.46 23.0 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.255 0.347 . . . . 2.81 111.643 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.709 ' HD2' ' N ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -65.83 -31.99 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.474 0.654 . . . . 2.0 110.688 -176.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.709 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 34.6 tt0 -76.52 -33.93 58.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.121 -0.945 . . . . 2.13 110.41 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.25 -16.31 63.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.524 -0.762 . . . . 1.7 110.461 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.1 mtpp -82.37 -8.07 59.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.599 -0.728 . . . . 3.82 110.99 -177.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -127.72 146.72 50.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 1.95 110.089 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.33 -44.69 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.037 -0.529 . . . . 2.46 111.342 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -67.41 -24.28 65.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.766 -0.652 . . . . 3.01 111.736 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 4.0 t -72.69 -40.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.566 -0.531 . . . . 1.42 109.566 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.436 ' O ' ' HE2' ' B' ' 37' ' ' PHE . 19.1 mm -61.56 -40.39 86.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 N-CA-C 108.788 -0.819 . . . . 1.76 108.788 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' B' ' 63' ' ' MET . 43.9 mt-10 -61.55 -34.65 75.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.7 -0.682 . . . . 1.85 111.214 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.87 -51.22 70.64 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 121.097 -0.241 . . . . 2.45 110.692 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.429 ' HA ' ' OD1' ' B' ' 65' ' ' ASP . 50.4 mt -69.46 -33.24 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.743 0.783 . . . . 1.92 109.961 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.966 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.6 tpt -53.36 -38.15 63.04 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.428 -1.715 . . . . 1.26 111.441 173.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.495 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 4.5 tm-20 -120.89 -30.08 4.49 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 114.527 -2.869 . . . . 2.36 110.937 -172.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD1' ' HA ' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -57.71 -34.28 69.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.219 173.074 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.62 -18.82 32.18 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 112.052 0.389 . . . . 1.87 112.052 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.495 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 11.4 t70 -64.25 78.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.445 1.117 . . . . 1.4 110.959 -176.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 31.2 m -71.7 -21.91 61.72 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.768 -1.56 . . . . 2.54 110.066 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.19 -3.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.043 -0.725 . . . . 2.89 109.043 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.42 25.42 6.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.531 -1.213 . . . . 1.71 113.541 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 2.5 t70 -120.59 18.14 12.02 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.113 -0.367 . . . . 1.95 110.714 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.421 ' NZ ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.0 2.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.069 -1.086 . . . . 2.22 108.069 -171.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.591 ' OE1' HG22 ' B' ' 31' ' ' THR . 76.3 mt-30 -141.1 143.14 34.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.956 -1.474 . . . . 2.32 109.613 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.418 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 52.2 mt -122.12 112.67 18.5 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.284 -0.635 . . . . 1.34 109.284 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -74.72 166.25 23.9 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.484 -0.932 . . . . 1.78 108.484 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 25.2 p90 -50.84 -38.37 48.6 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.688 0.255 . . . . 3.75 111.688 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.548 ' O ' HG23 ' B' ' 80' ' ' ILE . 47.9 mt-10 -64.14 -41.31 97.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 2.04 111.632 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.07 -44.08 63.86 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.531 0.681 . . . . 3.18 110.553 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.515 ' HE1' ' CE2' ' B' ' 19' ' ' PHE . 46.5 t80 -71.84 -28.27 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.07 -0.513 . . . . 3.91 110.993 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.548 HG23 ' O ' ' B' ' 77' ' ' GLU . 4.9 tp -67.94 -37.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.297 -0.631 . . . . 2.62 109.297 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.6 -35.48 68.3 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.989 0.423 . . . . 2.19 110.062 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.466 HD21 ' O ' ' B' ' 82' ' ' LEU . 3.1 tt -58.33 -41.79 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.428 -0.582 . . . . 1.99 109.428 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.478 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 34.5 mmt -59.17 -25.54 64.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 1.59 110.752 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.62 -35.21 60.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.878 0.37 . . . . 1.15 110.508 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.37 -39.11 92.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.837 -0.801 . . . . 2.07 108.837 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 31.8 mt -67.27 -34.27 77.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.034 -0.984 . . . . 2.16 109.793 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 51.9 m -64.9 -36.19 83.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.825 -0.35 . . . . 1.2 110.833 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.691 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t-105 -66.25 -36.98 84.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.114 -0.634 . . . . 4.33 109.534 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.93 90.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 1.84 110.89 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.598 ' OG ' HD11 ' A' ' 16' ' ' ILE . 12.9 p -72.26 -23.84 61.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.774 0.321 . . . . 2.13 110.912 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 33.5 t-80 -65.5 -33.16 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.606 0.717 . . . . 3.9 109.201 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.691 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 6.9 mm-40 -75.35 -29.51 59.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.066 -0.97 . . . . 3.29 109.949 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -84.39 -6.83 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 6.1 109.769 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.469 ' SD ' ' HG3' ' A' ' 29' ' ' PRO . 28.2 ttt -70.95 -6.44 38.64 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.092 -0.504 . . . . 6.04 110.454 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -73.26 70.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.579 -1.637 . . . . 5.89 106.579 163.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' B' ' 98' ' ' ASP . 10.5 tp10 -110.99 158.82 18.35 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.272 -1.331 . . . . 5.97 112.072 -161.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' B' ' 96' ' ' GLU . . . -52.99 -5.2 0.22 Allowed Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 113.462 -1.699 . . . . 7.19 113.175 167.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' B' ' 96' ' ' GLU . 26.7 t70 -65.46 -16.29 63.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.914 0.709 . . . . 9.86 112.914 -166.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.84 -23.58 63.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 122.069 0.938 . . . . 8.93 108.736 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' B' ' 101' ' ' PRO . . . -79.83 -153.13 8.02 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 113.977 -1.465 . . . . 6.77 111.77 172.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' B' ' 100' ' ' GLY . 10.2 Cg_endo -52.55 164.33 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.737 2.958 . . . . 7.97 112.504 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.67 -7.64 80.17 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.999 0.76 . . . . 10.54 114.999 -157.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -140.88 126.39 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.095 0.948 . . . . 13.58 110.56 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -150.48 152.51 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.399 -0.818 . . . . 8.86 108.875 173.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.72 127.49 38.91 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.538 . . . . 8.81 109.95 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -78.32 109.02 8.94 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.172 -0.677 . . . . 6.52 109.172 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.68 158.11 58.68 Favored 'Trans proline' 0 CA--C 1.51 -0.683 0 C-N-CA 122.831 2.354 . . . . 3.36 112.341 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.726 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 93.49 28.71 11.0 Favored Glycine 0 N--CA 1.427 -1.922 0 CA-C-N 115.268 -0.878 . . . . 3.43 113.837 168.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.2 tt -105.56 -43.23 4.99 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.323 -1.732 . . . . 2.41 106.323 162.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.696 ' HA2' ' O ' ' B' ' 47' ' ' ASN . . . -121.42 -16.36 4.27 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 114.403 -1.271 . . . . 2.79 110.424 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.726 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 2.8 mp0 -95.38 155.45 16.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.497 -0.852 . . . . 3.68 110.221 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.67 108.56 1.19 Allowed Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 119.355 -1.403 . . . . 3.02 111.827 169.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 23.1 p -112.8 139.58 23.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 110.113 -0.328 . . . . 3.92 110.113 171.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.743 2.295 . . . . 5.38 111.985 178.447 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.534 -0.173 . . . . 9.36 110.534 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m 59.57 63.37 1.54 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.378 0.424 . . . . 7.37 110.335 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t 69.54 135.43 0.03 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.307 -0.86 . . . . 5.47 110.44 -174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -86.17 9.59 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.151 -0.477 . . . . 2.88 111.637 -174.394 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.418 ' HB3' ' HB2' ' A' ' 9' ' ' GLU . 66.3 mtm -42.09 129.33 3.66 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.689 0.618 . . . . 3.29 111.263 173.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -75.39 178.38 5.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.783 -1.099 . . . . 1.65 110.874 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.433 HE21 ' CG2' ' B' ' 14' ' ' THR . 44.0 tt0 -55.78 -45.28 78.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.385 -0.371 . . . . 2.51 110.4 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 12' ' ' ILE . 14.5 tp -65.81 -45.76 81.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.118 -0.492 . . . . 2.42 110.445 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.69 ' OE1' ' HA ' ' B' ' 45' ' ' LEU . 4.5 mm-40 -57.44 -51.32 69.91 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 2.29 110.854 -174.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.79 -38.52 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.434 -0.803 . . . . 4.15 110.951 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.64 -40.28 76.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 2.22 110.664 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.0 mt -62.66 -47.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.034 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.68 -35.66 72.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.785 -0.643 . . . . 1.95 111.555 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.45 ' CG2' HE21 ' B' ' 7' ' ' GLN . 50.1 m -66.4 -39.01 88.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.192 0.52 . . . . 0.96 110.495 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 66.4 mt -67.38 -48.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.12 110.39 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 12' ' ' ILE . 67.0 mt -60.41 -36.94 72.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 1.16 110.591 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.85 -39.69 83.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.684 -0.234 . . . . 2.45 111.151 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 55.6 m -62.56 -44.47 96.25 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.315 -0.624 . . . . 1.42 109.315 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.87 -49.08 69.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.546 -0.752 . . . . 4.47 109.817 170.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -55.58 -50.85 68.99 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.883 -0.599 . . . . 3.54 112.313 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.2 pt20 -61.67 -37.56 84.53 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.201 -0.2 . . . . 1.64 111.067 -173.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.89 -38.74 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.705 -0.398 . . . . 2.26 111.283 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.811 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 36.8 p -69.99 -38.66 76.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.496 0.665 . . . . 1.35 110.741 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.545 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.8 p -72.11 -3.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.281 -0.872 . . . . 1.26 111.452 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 48.0 mtpt -63.97 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 2.74 109.754 174.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tt -88.17 -23.51 23.59 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.683 -0.69 . . . . 2.65 111.062 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -105.21 1.04 Allowed Glycine 0 C--O 1.228 -0.263 0 N-CA-C 111.44 -0.664 . . . . 1.43 111.44 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.98 95.34 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.212 0 N-CA-C 106.759 -1.571 . . . . 4.53 106.759 166.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.811 ' O ' ' HB2' ' A' ' 23' ' ' SER . 62.8 Cg_endo -74.7 31.55 0.35 Allowed 'Trans proline' 0 C--O 1.219 -0.441 0 N-CA-C 116.319 1.623 . . . . 3.25 116.319 -151.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 5.81 2.2 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.282 2.764 . . . . 2.56 113.87 -146.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.669 ' HG1' ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -156.74 163.7 38.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.493 0.717 . . . . 1.92 110.771 -174.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HG1' ' A' ' 31' ' ' THR . 93.7 mt -98.22 123.97 42.57 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.33 -0.989 . . . . 1.23 108.33 160.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.83 173.49 12.55 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.812 -0.755 . . . . 2.75 109.672 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 6.0 tt0 -50.66 -44.26 57.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.365 0.416 . . . . 2.11 111.081 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.15 70.36 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.639 -0.791 . . . . 0.46 111.593 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 1.2 mp0 -69.29 -43.36 73.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.576 -0.312 . . . . 2.0 111.172 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.07 -49.46 69.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.193 -0.458 . . . . 2.37 110.82 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 44.3 mtpt -64.25 -33.53 76.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.399 . . . . 1.95 110.481 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.81 -45.45 67.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.647 -0.706 . . . . 1.74 110.411 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.21 -46.85 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 2.07 109.728 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 70.2 t -59.39 -37.43 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 1.18 110.565 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 14.2 ttm180 -72.94 -28.3 62.35 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.99 -0.55 . . . . 3.84 111.701 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -104.72 -45.96 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.314 0.857 . . . . 2.86 113.314 -173.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -43.67 7.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.049 -0.66 . . . . 1.88 111.494 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.707 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 59.9 mt -86.96 3.08 47.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.932 0.396 . . . . 1.29 110.614 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 16.1 pt20 -52.25 -24.38 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.64 . . . . 2.21 111.609 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.475 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 2.9 t-20 -94.88 -48.51 5.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.374 -0.375 . . . . 2.9 110.465 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.65 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -76.23 -35.41 59.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 2.75 110.344 -175.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 mt -99.23 26.54 5.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 1.36 110.024 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.12 -57.31 3.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.0 -0.545 . . . . 2.82 111.713 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.43 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 2.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 0.7 OUTLIER -73.11 -38.03 66.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 2.13 110.557 176.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -15.69 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.614 0.721 . . . . 1.7 110.177 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -82.03 -3.66 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.167 -0.924 . . . . 3.82 110.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -131.27 169.75 15.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 1.95 110.399 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -109.39 -49.56 3.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 2.46 110.001 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.06 -31.0 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.788 -0.642 . . . . 3.01 111.589 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 23.1 t -64.53 -35.81 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.43 -0.35 . . . . 1.43 110.317 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.5 mm -70.58 -35.83 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 1.76 109.663 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.4 -36.68 83.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.179 -0.464 . . . . 1.86 110.931 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -67.53 -48.5 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 2.45 110.32 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.32 -33.87 63.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.356 0.598 . . . . 1.92 109.83 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.405 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 13.7 tpt -60.8 -52.6 64.39 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 114.565 -1.198 . . . . 1.27 111.586 176.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.0 tt0 -99.13 -28.26 13.45 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 113.665 -3.214 . . . . 2.37 108.842 -159.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.099 -0.64 . . . . 1.93 110.395 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 57.2 mt -74.72 -30.62 61.58 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.9 -0.32 . . . . 1.87 111.427 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 32.9 t0 -63.69 78.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.834 0.854 . . . . 1.39 111.43 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.2 m -63.49 -26.3 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.013 -0.994 . . . . 2.54 111.001 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.58 -4.46 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.471 -0.566 . . . . 2.89 109.471 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.55 25.64 4.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.79 -1.096 . . . . 1.71 112.814 172.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.61 22.87 11.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 1.95 111.109 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.96 41.96 4.49 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.616 -0.883 . . . . 2.22 108.616 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 92.6 mt-30 -141.74 142.0 33.27 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.467 -1.242 . . . . 2.32 110.257 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 42.0 mt -119.18 113.36 20.77 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.948 -0.76 . . . . 1.34 108.948 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.473 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 7.7 t -77.74 172.15 13.86 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.757 -1.201 . . . . 1.78 107.757 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CB ' HG21 ' B' ' 87' ' ' THR . 1.4 p90 -53.84 -39.93 66.04 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.702 0.63 . . . . 3.75 112.702 -175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 80' ' ' ILE . 48.1 mt-10 -67.39 -36.16 80.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.971 0.415 . . . . 2.03 110.86 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 mp0 -69.83 -46.22 66.09 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.505 0.669 . . . . 3.18 109.906 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 60.7 t80 -68.68 -29.2 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.672 . . . . 3.91 111.105 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 77' ' ' GLU . 3.0 tp -69.45 -40.21 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.422 -0.511 . . . . 2.63 110.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.518 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 89.4 mmm -55.21 -31.88 61.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 2.19 111.328 170.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.7 tm? -62.75 -39.21 93.43 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.631 -0.507 . . . . 1.99 109.631 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.6 mmt -60.23 -30.62 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 1.59 109.958 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.76 -30.61 59.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.288 -0.414 . . . . 1.16 110.607 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 81' ' ' MET . 32.0 mtp85 -68.12 -36.44 79.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.645 0.736 . . . . 2.07 109.128 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.91 -30.28 70.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.126 -0.943 . . . . 2.16 109.411 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.512 HG21 ' CB ' ' B' ' 76' ' ' PHE . 76.7 m -70.86 -26.36 63.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.518 -0.473 . . . . 1.2 110.562 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.3 m0 -66.06 -36.04 82.16 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.388 -0.967 . . . . 4.33 108.388 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -63.48 -46.03 88.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.914 -1.039 . . . . 1.84 110.508 175.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 94' ' ' MET . 37.9 m -77.06 -1.54 29.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.219 -0.446 . . . . 2.14 111.876 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.62 -40.93 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 3.9 108.284 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 2.6 pt-20 -79.46 -38.05 35.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.635 -1.166 . . . . 3.3 110.105 172.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' O ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -86.07 9.85 16.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.379 0.609 . . . . 6.1 110.536 179.078 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' SER . 17.3 tmm? -60.93 -24.76 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 6.04 110.48 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -83.05 68.8 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.523 -0.547 . . . . 5.89 109.523 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' C ' ' HD1' ' A' ' 104' ' ' HIS . 38.1 tt0 -99.2 122.21 42.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.578 -0.737 . . . . 5.97 109.874 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.83 -13.62 82.91 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.566 -0.743 . . . . 7.17 111.582 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -70.16 -31.61 69.19 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.798 0.332 . . . . 9.86 111.544 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.73 20.3 12.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.07 0.462 . . . . 8.93 110.475 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.23 -162.09 9.2 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.428 -0.891 . . . . 6.76 113.374 -172.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.612 ' HD2' ' CE1' ' A' ' 104' ' ' HIS . 54.3 Cg_exo -55.63 163.28 5.47 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 124.181 3.254 . . . . 7.95 112.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.93 -7.3 83.85 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.568 -0.742 . . . . 10.53 113.363 -166.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -137.92 127.1 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.492 0.663 . . . . 13.58 109.31 169.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.612 ' CE1' ' HD2' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -150.16 167.18 27.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.522 -1.217 . . . . 8.85 109.639 -173.504 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -90.71 160.1 16.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 8.81 109.8 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 40.6 ttmt -68.13 130.66 92.42 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 114.264 1.209 . . . . 6.51 114.264 -156.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.51 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 71.7 Cg_endo -67.14 164.85 28.61 Favored 'Trans proline' 0 CA--C 1.511 -0.666 0 C-N-CA 124.851 3.701 . . . . 3.35 110.864 168.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.501 ' HA2' ' HB2' ' A' ' 111' ' ' GLU . . . 98.21 50.74 1.55 Allowed Glycine 0 N--CA 1.428 -1.837 0 C-N-CA 117.778 -2.153 . . . . 3.44 115.307 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.568 HD21 ' N ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -74.35 -33.09 63.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.221 -1.4 . . . . 2.4 107.221 169.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.568 ' N ' HD21 ' A' ' 109' ' ' LEU . . . -123.69 -16.9 3.26 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.386 -1.086 . . . . 2.79 110.386 163.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.501 ' HB2' ' HA2' ' A' ' 108' ' ' GLY . 1.5 mt-10 -81.37 155.93 25.7 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.623 -0.788 . . . . 3.67 111.485 -171.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.91 106.93 2.02 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.137 -1.506 . . . . 3.01 111.047 165.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.4 ' HB ' ' HG2' ' A' ' 107' ' ' PRO . 69.5 m -130.09 134.53 26.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.245 -0.65 . . . . 3.92 109.245 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 122.992 2.461 . . . . 5.37 112.65 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.399 -0.223 . . . . 9.37 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.8 m 59.56 63.56 1.5 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.002 0.43 . . . . 7.37 110.327 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t 69.22 135.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.298 -0.865 . . . . 5.48 110.515 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -85.93 9.74 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 2.87 111.799 -174.533 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.424 ' HB3' ' HB2' ' B' ' 9' ' ' GLU . 65.6 mtm -42.41 129.27 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.842 0.714 . . . . 3.29 111.183 173.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -75.31 178.52 5.77 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.798 -1.092 . . . . 1.66 110.958 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . 0.45 HE21 ' CG2' ' A' ' 14' ' ' THR . 44.1 tt0 -55.88 -45.31 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.302 -0.408 . . . . 2.52 110.271 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.549 ' O ' HG13 ' B' ' 12' ' ' ILE . 14.4 tp -65.84 -45.77 80.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.087 -0.506 . . . . 2.42 110.541 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.707 ' OE1' ' HA ' ' A' ' 45' ' ' LEU . 4.4 mm-40 -57.32 -51.32 69.85 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.261 0.553 . . . . 2.28 110.876 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -60.81 -38.54 85.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 4.16 110.958 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.7 -40.22 76.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 2.21 110.552 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 8' ' ' LEU . 84.1 mt -62.83 -47.83 90.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.394 . . . . 1.06 109.973 177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.68 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 1.95 111.66 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.433 ' CG2' HE21 ' A' ' 7' ' ' GLN . 48.1 m -66.48 -39.17 88.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.128 0.489 . . . . 0.96 110.478 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 66.1 mt -67.32 -48.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.13 110.368 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 12' ' ' ILE . 67.2 mt -60.41 -36.85 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.679 -0.691 . . . . 1.16 110.634 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -67.84 -39.94 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.629 -0.259 . . . . 2.45 111.118 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 54.2 m -62.33 -44.63 96.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.285 -0.635 . . . . 1.41 109.285 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -53.86 -48.93 69.51 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.493 -0.776 . . . . 4.47 109.858 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -55.73 -50.82 69.33 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.964 -0.562 . . . . 3.55 112.287 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 18' ' ' THR . 21.2 pt20 -61.65 -37.54 84.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.179 -0.208 . . . . 1.64 111.017 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.01 -38.58 36.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.64 -0.424 . . . . 2.25 111.261 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.802 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 36.9 p -70.08 -38.74 75.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.488 0.661 . . . . 1.35 110.623 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.8 p -72.12 -4.18 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.376 -0.829 . . . . 1.26 111.411 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 47.9 mtpt -63.88 -22.43 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 2.74 109.678 174.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.32 -23.48 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.667 -0.697 . . . . 2.65 111.119 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.68 -105.25 1.04 Allowed Glycine 0 C--O 1.229 -0.171 0 N-CA-C 111.379 -0.688 . . . . 1.43 111.379 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.93 95.42 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.205 0 N-CA-C 106.721 -1.585 . . . . 4.53 106.721 166.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.802 ' O ' ' HB2' ' B' ' 23' ' ' SER . 61.8 Cg_endo -74.73 31.69 0.35 Allowed 'Trans proline' 0 C--O 1.22 -0.4 0 N-CA-C 116.316 1.622 . . . . 3.25 116.316 -151.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.71 5.82 2.28 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 123.386 2.812 . . . . 2.56 113.74 -146.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.69 ' HG1' ' N ' ' B' ' 32' ' ' LEU . 0.6 OUTLIER -156.67 163.62 39.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.476 0.71 . . . . 1.92 110.88 -174.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.69 ' N ' ' HG1' ' B' ' 31' ' ' THR . 93.7 mt -98.27 124.04 42.68 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.309 -0.997 . . . . 1.23 108.309 160.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -80.96 173.15 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.778 -0.769 . . . . 2.74 109.626 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 6.0 tt0 -50.25 -44.16 53.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.91 0.386 . . . . 2.11 111.19 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.26 -35.19 69.75 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.646 -0.788 . . . . 0.46 111.647 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.472 ' HG3' ' HD3' ' B' ' 25' ' ' LYS . 1.3 mp0 -69.47 -43.29 73.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.343 . . . . 2.01 111.149 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.02 -49.56 69.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 2.37 110.825 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' B' ' 34' ' ' GLN . 44.0 mtpt -64.05 -33.56 76.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.901 0.381 . . . . 1.95 110.5 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.71 -45.49 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.723 -0.671 . . . . 1.75 110.477 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.36 -46.77 85.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 2.07 109.74 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.555 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.5 t -59.33 -37.39 69.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.81 -0.632 . . . . 1.18 110.593 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.65 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 14.3 ttm180 -73.0 -28.46 62.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 3.84 111.674 -175.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -104.62 -45.98 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.34 0.867 . . . . 2.86 113.34 -173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.41 -43.78 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.064 -0.654 . . . . 1.87 111.518 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.69 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 60.9 mt -86.9 2.97 47.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 1.29 110.665 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.65 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 16.1 pt20 -52.3 -24.12 6.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.747 -0.66 . . . . 2.21 111.643 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.463 ' O ' ' HA3' ' B' ' 110' ' ' GLY . 3.0 t-20 -94.99 -48.53 5.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.407 -0.36 . . . . 2.9 110.342 -176.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.638 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -76.18 -35.45 59.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.339 0.59 . . . . 2.75 110.361 -175.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -99.27 26.66 5.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.393 -0.821 . . . . 1.36 110.022 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.22 -57.38 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.657 0.598 . . . . 2.81 111.718 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 2.0 111.68 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.456 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -73.13 -37.99 66.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.376 . . . . 2.13 110.626 176.296 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -69.71 -15.68 63.2 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.63 0.728 . . . . 1.7 110.116 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -81.97 -3.98 55.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.173 -0.921 . . . . 3.82 110.127 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -131.02 169.88 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.95 110.305 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -109.56 -49.45 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.923 -0.581 . . . . 2.46 110.035 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -62.15 -31.06 71.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 3.01 111.571 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 22.8 t -64.43 -35.96 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.98 0.419 . . . . 1.42 110.322 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 mm -70.55 -35.91 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.577 -0.527 . . . . 1.76 109.577 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.41 -36.77 83.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.112 0.482 . . . . 1.85 110.809 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -67.56 -48.33 67.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 2.45 110.372 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 58' ' ' VAL . 59.1 mt -63.44 -33.71 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 1.92 109.942 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.415 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 13.7 tpt -60.87 -52.58 64.47 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 114.528 -1.214 . . . . 1.26 111.699 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.481 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 26.5 tt0 -99.22 -28.12 13.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 113.671 -3.212 . . . . 2.36 108.764 -159.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.68 -38.0 71.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.262 -0.575 . . . . 1.93 110.495 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' B' ' 78' ' ' GLU . 56.7 mt -75.04 -30.67 61.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.958 -0.297 . . . . 1.87 111.412 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 31.2 t0 -63.68 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.076 0.86 . . . . 1.4 111.277 -175.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.6 m -64.29 -26.57 68.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.904 -1.044 . . . . 2.54 110.961 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -87.47 -4.29 59.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 2.89 109.523 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.78 25.65 5.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.029 -0.987 . . . . 1.71 112.758 171.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.75 22.88 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.5 -0.318 . . . . 1.95 111.205 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.95 41.95 4.52 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.591 -0.892 . . . . 2.22 108.591 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.461 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 92.7 mt-30 -141.72 142.42 33.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.374 -1.284 . . . . 2.32 110.122 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.415 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 41.7 mt -119.59 113.32 20.53 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.009 -0.737 . . . . 1.34 109.009 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' SER . . . . . 0.456 ' HB3' ' OE2' ' B' ' 78' ' ' GLU . 7.6 t -77.68 171.98 14.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.876 -1.157 . . . . 1.78 107.876 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.512 ' CB ' HG21 ' A' ' 87' ' ' THR . 1.3 p90 -53.66 -40.06 65.57 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 112.612 0.597 . . . . 3.75 112.612 -175.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.445 ' O ' HG23 ' B' ' 80' ' ' ILE . 47.0 mt-10 -67.56 -35.54 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 2.04 110.952 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.456 ' OE2' ' HB3' ' B' ' 75' ' ' SER . 1.4 mp0 -70.43 -46.18 64.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.593 0.711 . . . . 3.18 109.824 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 60.5 t80 -68.7 -29.15 67.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.635 -0.712 . . . . 3.91 111.134 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.56 -40.13 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.387 -0.525 . . . . 2.62 110.012 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.519 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 89.0 mmm -55.3 -31.76 61.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.52 0.2 . . . . 2.19 111.323 170.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.7 tm? -62.82 -39.17 93.49 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.5 mmt -60.3 -30.39 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 1.59 110.039 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.85 -30.65 58.99 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.15 110.687 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 81' ' ' MET . 32.2 mtp85 -67.97 -36.74 80.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.664 0.745 . . . . 2.07 109.115 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.8 -30.15 70.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.155 -0.929 . . . . 2.16 109.445 171.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 76' ' ' PHE . 77.3 m -70.91 -26.47 63.23 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.458 -0.497 . . . . 1.2 110.518 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.507 ' CD2' ' HA ' ' B' ' 85' ' ' ARG . 44.2 m0 -65.94 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.456 -0.942 . . . . 4.33 108.456 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -63.8 -45.92 87.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.911 -1.04 . . . . 1.84 110.49 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' B' ' 94' ' ' MET . 36.8 m -76.92 -1.74 30.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.271 -0.422 . . . . 2.13 111.906 174.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -80.57 -40.99 24.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 3.9 108.316 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 2.7 pt-20 -79.51 -37.91 35.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.704 -1.134 . . . . 3.29 110.136 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.512 ' O ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -85.96 9.59 16.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.362 0.601 . . . . 6.1 110.59 178.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' B' ' 90' ' ' SER . 17.1 tmm? -60.8 -24.72 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 6.04 110.52 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -83.07 68.67 9.63 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.503 -0.555 . . . . 5.89 109.503 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.46 ' C ' ' HD1' ' B' ' 104' ' ' HIS . 38.2 tt0 -98.85 122.44 42.09 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.585 -0.734 . . . . 5.97 109.898 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.97 -13.82 82.79 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.507 -0.769 . . . . 7.19 111.5 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -70.22 -31.46 68.9 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 120.711 0.291 . . . . 9.86 111.634 -173.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.01 20.33 12.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.909 0.385 . . . . 8.93 110.607 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.29 -162.1 9.2 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.467 -0.873 . . . . 6.77 113.349 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.611 ' HD2' ' CE1' ' B' ' 104' ' ' HIS . 54.4 Cg_exo -55.51 163.39 5.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.338 3.359 . . . . 7.97 112.967 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.84 -7.28 83.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.448 -0.796 . . . . 10.54 113.376 -166.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -138.19 127.02 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.546 0.688 . . . . 13.58 109.211 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.611 ' CE1' ' HD2' ' B' ' 101' ' ' PRO . 0.1 OUTLIER -150.28 167.02 28.21 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.513 -1.221 . . . . 8.86 109.624 -173.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -90.56 160.18 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 8.81 109.74 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 107' ' ' PRO . 40.6 ttmt -68.0 130.78 92.54 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 114.24 1.2 . . . . 6.52 114.24 -156.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.521 ' O ' ' HG2' ' B' ' 106' ' ' LYS . 73.6 Cg_endo -67.36 165.08 28.16 Favored 'Trans proline' 0 CA--C 1.509 -0.726 0 C-N-CA 124.785 3.657 . . . . 3.36 110.895 168.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' B' ' 111' ' ' GLU . . . 98.12 50.8 1.55 Allowed Glycine 0 N--CA 1.429 -1.814 0 C-N-CA 117.78 -2.152 . . . . 3.43 115.224 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.577 HD21 ' N ' ' B' ' 110' ' ' GLY . 0.0 OUTLIER -74.39 -33.2 62.97 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.323 -1.362 . . . . 2.41 107.323 169.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.577 ' N ' HD21 ' B' ' 109' ' ' LEU . . . -123.57 -16.81 3.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.461 -1.056 . . . . 2.79 110.461 163.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.51 ' HB2' ' HA2' ' B' ' 108' ' ' GLY . 1.4 mt-10 -81.33 156.06 25.69 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.674 -0.763 . . . . 3.68 111.376 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.02 106.95 2.01 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 119.134 -1.508 . . . . 3.02 110.989 165.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.407 ' HB ' ' HG2' ' B' ' 107' ' ' PRO . 63.5 m -130.2 134.21 25.84 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.282 -0.636 . . . . 3.92 109.282 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.249 1.056 0 C-N-CA 122.983 2.455 . . . . 5.38 112.615 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.932 0.396 . . . . 9.36 110.675 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -96.6 -83.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.808 -0.442 . . . . 7.37 109.808 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -70.98 -46.28 62.59 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.795 -1.187 . . . . 5.47 107.795 169.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE2' ' CD ' ' B' ' 46' ' ' GLN . 20.3 tptt -169.72 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.806 -1.088 . . . . 2.88 110.756 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.681 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 94.3 mtp -23.1 116.64 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.845 1.341 . . . . 3.29 113.537 -174.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -75.84 176.9 7.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.965 -1.471 . . . . 1.65 111.509 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.421 HE21 ' CG2' ' B' ' 14' ' ' THR . 54.2 tt0 -58.27 -48.38 80.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.109 0.481 . . . . 2.51 110.919 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' O ' HG13 ' A' ' 12' ' ' ILE . 3.2 tm? -63.21 -43.67 97.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.139 -0.937 . . . . 2.42 109.13 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.681 ' OE1' ' HA ' ' A' ' 5' ' ' MET . 7.2 tt0 -63.19 -50.17 71.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.132 -1.395 . . . . 2.29 111.701 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -59.73 -35.39 74.46 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.954 -0.567 . . . . 4.15 111.176 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 15' ' ' ILE . 11.5 m120 -66.96 -37.56 84.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.871 -0.604 . . . . 2.22 110.841 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 8' ' ' LEU . 28.7 mt -62.47 -49.51 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.019 0.438 . . . . 1.05 109.965 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' HZ3' ' B' ' 93' ' ' LYS . 6.9 tm-20 -59.6 -42.42 92.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.365 -0.834 . . . . 1.95 110.186 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' CG2' HE21 ' B' ' 7' ' ' GLN . 40.0 m -65.61 -41.62 92.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.839 -0.619 . . . . 0.96 110.919 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 8.7 mt -63.35 -47.08 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.321 -0.399 . . . . 1.12 110.664 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 12' ' ' ILE . 96.7 mt -56.44 -52.11 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 1.16 111.531 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.71 0.263 . . . . 2.45 111.71 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 84.0 m -71.02 -51.59 24.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.425 -0.51 . . . . 1.42 110.383 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CD2' HD12 ' A' ' 40' ' ' LEU . 38.3 m-85 -59.35 -42.33 91.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.034 0.445 . . . . 4.47 110.348 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.518 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 8.7 t-80 -70.66 -23.99 62.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.794 -0.639 . . . . 3.54 111.83 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.742 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.1 pt20 -73.59 -32.15 63.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.219 -0.66 . . . . 1.64 109.219 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HD2' ' O ' ' A' ' 18' ' ' THR . 92.3 m-85 -79.59 -33.24 41.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.208 -0.451 . . . . 2.26 110.962 174.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 29' ' ' PRO . 84.7 p -66.63 -41.62 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.573 0.702 . . . . 1.35 109.19 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 28' ' ' HIS . 4.2 p -75.65 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.051 -0.977 . . . . 1.26 112.155 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 27.5 mtpp -58.92 -29.38 67.04 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.798 0.666 . . . . 2.74 112.798 -176.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' HB3' ' HG2' ' A' ' 29' ' ' PRO . 25.1 tp -89.95 12.63 16.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.146 0.498 . . . . 2.65 111.095 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.09 -96.5 0.22 Allowed Glycine 0 N--CA 1.453 -0.223 0 N-CA-C 111.402 -0.679 . . . . 1.43 111.402 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.669 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 76.6 m-70 -131.32 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 113.431 0.9 . . . . 4.53 113.431 170.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.669 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 85.5 Cg_exo -56.48 166.37 3.6 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.55 2.167 . . . . 3.25 115.388 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.71 8.76 10.64 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.466 -2.152 . . . . 2.56 108.317 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -127.63 149.55 50.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.03 -1.441 . . . . 1.92 109.727 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.3 mt -91.88 118.77 31.04 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 108.195 -1.039 . . . . 1.23 108.195 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.507 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 1.7 m-20 -85.41 168.81 14.27 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.559 -0.904 . . . . 2.75 108.559 178.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.895 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 29.8 tt0 -51.23 -40.17 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.413 0.523 . . . . 2.11 112.413 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.02 -41.91 38.68 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.668 -0.777 . . . . 0.46 111.931 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' OE2' ' HB2' ' A' ' 33' ' ' ASN . 4.9 mp0 -65.79 -40.79 92.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.181 -0.51 . . . . 2.0 110.732 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.31 -47.32 76.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 2.37 110.919 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 94.4 mttt -54.05 -48.31 70.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.781 0.324 . . . . 1.95 110.609 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.673 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 37.2 tt0 -64.66 -46.82 80.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.654 . . . . 1.74 110.751 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 19' ' ' PHE . 9.4 tt -57.44 -50.23 73.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 2.07 109.915 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 50.2 t -55.91 -37.1 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 1.18 110.903 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 79.7 mtt180 -70.46 -30.15 66.91 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.36 0.874 . . . . 3.84 113.36 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.48 -41.93 4.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.535 1.309 . . . . 2.86 114.535 -173.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' B' ' 9' ' ' GLU . 2.0 p30 -106.8 -25.42 11.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.426 1.012 . . . . 1.88 113.059 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 96.2 mt -98.24 1.84 47.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.996 0.427 . . . . 1.29 110.357 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.606 ' CD ' ' HE2' ' B' ' 4' ' ' LYS . 14.8 pt20 -53.21 -21.22 4.88 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.318 0.858 . . . . 2.21 113.318 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD ' ' B' ' 9' ' ' GLU . 26.0 t-20 -95.35 -39.35 10.07 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.987 -0.445 . . . . 2.9 109.954 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HE3' ' B' ' 5' ' ' MET . 2.6 m-30 -73.59 -35.65 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.482 0.658 . . . . 2.75 110.594 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.77 26.4 10.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.404 -0.817 . . . . 1.36 109.593 177.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 39.2 ttmt -46.0 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 2.82 112.952 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.14 -30.79 69.12 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.128 -0.629 . . . . 2.0 110.259 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG3' HG11 ' A' ' 58' ' ' VAL . 15.5 mp0 -65.23 -37.69 88.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 2.13 111.551 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -72.78 -14.64 61.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.919 0.39 . . . . 1.7 111.298 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.36 -9.06 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 3.82 110.562 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -122.81 145.7 48.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 1.95 109.629 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 48.5 mt-10 -87.93 -39.95 14.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.219 -0.446 . . . . 2.46 110.641 -177.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.45 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.602 -0.726 . . . . 3.01 111.522 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 52' ' ' GLU . 43.5 t -65.68 -41.75 91.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 1.43 110.278 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 mm -69.17 -35.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.562 -0.533 . . . . 1.76 109.562 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 47.8 mt-10 -59.54 -36.17 75.64 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.283 -0.417 . . . . 1.86 110.987 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -68.42 -49.01 63.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.631 -0.258 . . . . 2.45 110.702 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.06 -33.8 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 121.965 0.888 . . . . 1.92 109.568 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.895 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 11.2 tpt -60.31 -39.62 87.63 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 113.257 -1.792 . . . . 1.27 111.959 176.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.535 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 7.9 tm-20 -115.64 -27.7 7.01 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.313 -2.955 . . . . 2.37 109.668 -169.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -34.02 64.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.035 -0.266 . . . . 1.93 110.39 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -91.42 -11.8 36.61 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 112.588 0.588 . . . . 1.87 112.588 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 16.5 t0 -63.6 94.72 0.09 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.558 1.171 . . . . 1.39 111.84 -171.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.97 -45.64 42.36 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.67 -2.059 . . . . 2.54 113.136 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.71 -0.31 48.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.496 -0.32 . . . . 2.89 111.296 -171.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.84 25.44 6.68 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.576 0.703 . . . . 1.71 110.347 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -117.45 19.62 13.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.047 -0.979 . . . . 1.95 109.372 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.8 48.15 1.94 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.748 -1.114 . . . . 2.22 110.118 -178.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -143.27 140.08 30.47 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.058 -0.974 . . . . 2.32 110.314 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.65 118.6 37.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.482 -0.326 . . . . 1.34 110.38 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.587 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 46.5 t -69.16 158.29 35.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.74 -0.837 . . . . 1.78 108.74 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.778 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 31.9 p90 -53.22 -38.96 63.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.962 0.41 . . . . 3.75 111.341 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 80' ' ' ILE . 11.0 mt-10 -59.89 -31.78 70.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.569 -0.741 . . . . 2.03 111.045 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 75' ' ' SER . 3.5 mp0 -86.05 -37.71 18.6 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.241 0.46 . . . . 3.18 112.241 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.778 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -73.0 -25.98 61.17 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.414 -0.914 . . . . 3.91 109.924 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 77' ' ' GLU . 2.8 tp -67.37 -41.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.398 -0.593 . . . . 2.63 109.398 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.53 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 82.4 mmm -57.58 -31.35 66.07 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.567 -0.288 . . . . 2.19 111.388 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 tm? -64.42 -36.76 85.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.769 -0.826 . . . . 1.99 108.769 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 23.7 mmt -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 1.59 109.98 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' B' ' 80' ' ' ILE . . . -71.16 -37.46 72.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 1.16 110.713 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' MET . 18.5 mtp180 -62.2 -40.18 95.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.43 0.633 . . . . 2.07 109.339 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 57.3 mt -70.53 -25.05 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.716 . . . . 2.16 110.129 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 55.3 m -69.69 -35.29 74.96 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.373 -0.376 . . . . 1.2 110.234 176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 89.8 t90 -65.08 -36.76 85.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.732 -0.84 . . . . 4.33 108.732 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 92' ' ' GLU . . . -71.08 -25.05 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.57 -0.741 . . . . 1.84 110.597 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -79.57 -22.23 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.382 . . . . 2.14 110.464 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -68.62 -32.48 72.39 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.828 -1.175 . . . . 3.9 107.828 169.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.2 mm-40 -73.27 -26.21 61.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.83 174.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HG3' ' OE2' ' A' ' 111' ' ' GLU . 5.9 tmmm? -81.11 -20.97 40.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 6.1 109.586 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.9 tpt -63.14 -32.85 74.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.387 -0.597 . . . . 6.04 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -102.44 71.03 1.19 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.573 -0.739 . . . . 5.89 109.05 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 37.7 tt0 -51.79 124.78 13.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.048 -0.978 . . . . 5.97 110.644 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -59.09 -13.88 22.29 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.877 -1.056 . . . . 7.17 112.142 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 38.8 t70 -70.71 -22.22 62.47 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 120.79 0.329 . . . . 9.86 111.543 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -70.43 -25.54 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 8.93 110.83 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.27 80.05 0.11 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.88 -0.888 . . . . 6.76 110.88 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.38 137.12 20.49 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.818 2.346 . . . . 7.95 114.187 -173.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.45 -40.31 3.01 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 108.387 -1.885 . . . . 10.53 108.387 162.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -142.49 144.9 33.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.993 -1.484 . . . . 13.58 106.993 167.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.17 104.78 16.79 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.04 -0.664 . . . . 8.85 110.458 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -99.03 161.39 13.65 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.986 -1.006 . . . . 8.81 108.904 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -67.07 118.15 52.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.253 -0.647 . . . . 6.51 109.253 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 94.8 Cg_exo -48.05 139.23 20.89 Favored 'Trans proline' 0 C--O 1.21 -0.919 0 C-N-CA 123.874 3.049 . . . . 3.35 116.373 -171.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.31 -39.7 0.01 OUTLIER Glycine 0 C--N 1.3 -1.439 0 N-CA-C 120.832 3.093 . . . . 3.44 120.832 170.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.36 -58.56 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 121.386 2.593 . . . . 2.4 109.456 155.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.64 0.32 3.76 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 111.858 -2.428 . . . . 2.79 110.031 171.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.582 ' O ' ' HD2' ' A' ' 107' ' ' PRO . 39.1 mt-10 -52.96 152.77 3.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 124.816 1.247 . . . . 3.67 112.726 -163.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.96 111.28 1.79 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.496 -0.859 . . . . 3.01 111.64 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 p -118.76 157.24 50.58 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.173 -0.306 . . . . 3.92 110.173 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.244 0.794 0 C-N-CA 122.668 2.245 . . . . 5.37 111.911 178.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.016 0.436 . . . . 9.37 110.809 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -96.98 -82.6 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.808 -0.441 . . . . 7.37 109.808 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -71.24 -46.05 61.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.853 -1.165 . . . . 5.48 107.853 169.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.606 ' HE2' ' CD ' ' A' ' 46' ' ' GLN . 20.5 tptt -169.98 -47.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.853 -1.067 . . . . 2.87 110.611 173.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.697 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 94.4 mtp -22.97 116.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.858 1.348 . . . . 3.29 113.654 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -75.74 176.98 7.22 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.933 -1.485 . . . . 1.66 111.572 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . 0.436 HE21 ' CG2' ' A' ' 14' ' ' THR . 54.1 tt0 -58.41 -48.55 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 2.52 110.814 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.592 ' O ' HG13 ' B' ' 12' ' ' ILE . 3.2 tm? -62.96 -43.92 97.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.086 -0.961 . . . . 2.42 109.083 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.697 ' OE1' ' HA ' ' B' ' 5' ' ' MET . 7.4 tt0 -63.14 -50.22 71.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.229 -1.351 . . . . 2.28 111.644 -175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.88 -35.11 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 4.16 111.078 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.451 ' O ' HG13 ' B' ' 15' ' ' ILE . 11.5 m120 -67.16 -37.56 83.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.56 . . . . 2.21 110.81 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 8' ' ' LEU . 28.6 mt -62.4 -49.53 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 121.025 0.44 . . . . 1.06 109.973 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' HG2' ' HZ3' ' A' ' 93' ' ' LYS . 6.6 tm-20 -59.53 -42.55 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 1.95 110.293 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.421 ' CG2' HE21 ' A' ' 7' ' ' GLN . 44.3 m -65.46 -41.67 93.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.785 -0.643 . . . . 0.96 110.746 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.506 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 8.8 mt -63.42 -47.19 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 1.13 110.652 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 12' ' ' ILE . 96.7 mt -56.4 -52.18 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 1.16 111.474 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -69.65 -26.77 64.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.713 0.264 . . . . 2.45 111.713 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.749 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 79.8 m -71.06 -51.7 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.468 -0.493 . . . . 1.41 110.402 176.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -59.55 -42.16 91.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.913 0.387 . . . . 4.47 110.35 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.517 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 8.8 t-80 -70.46 -24.59 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.935 -0.575 . . . . 3.55 111.773 -176.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.749 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.9 pt20 -73.07 -32.4 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.147 -0.686 . . . . 1.64 109.147 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.426 ' HD2' ' O ' ' B' ' 18' ' ' THR . 92.2 m-85 -79.38 -33.21 43.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 2.25 110.992 174.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.54 ' O ' ' HB2' ' B' ' 29' ' ' PRO . 84.9 p -66.74 -41.46 87.79 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.664 0.745 . . . . 1.35 109.241 177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' B' ' 28' ' ' HIS . 4.2 p -75.81 -3.48 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.066 -0.97 . . . . 1.26 112.192 -177.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 27.6 mtpp -58.91 -29.69 67.25 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.776 0.658 . . . . 2.74 112.776 -176.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' B' ' 29' ' ' PRO . 25.1 tp -89.61 12.75 15.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 2.65 111.061 -176.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.73 -96.68 0.23 Allowed Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.365 -0.694 . . . . 1.43 111.365 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.663 ' N ' ' HD3' ' B' ' 29' ' ' PRO . 77.2 m-70 -131.27 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 113.309 0.855 . . . . 4.53 113.309 171.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' B' ' 28' ' ' HIS . 86.4 Cg_exo -56.46 166.15 3.78 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.484 2.122 . . . . 3.25 115.447 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.41 8.94 10.84 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 112.547 -2.115 . . . . 2.56 108.284 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -127.79 149.4 50.28 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.15 -1.386 . . . . 1.92 109.788 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.6 118.54 30.71 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.346 -0.983 . . . . 1.23 108.346 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.513 ' HB2' ' OE2' ' B' ' 36' ' ' GLU . 1.7 m-20 -85.37 168.73 14.37 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.501 -0.925 . . . . 2.74 108.501 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.895 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 29.8 tt0 -51.0 -40.25 57.69 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.528 0.566 . . . . 2.11 112.528 -172.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.51 38.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.813 -0.708 . . . . 0.46 111.934 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.513 ' OE2' ' HB2' ' B' ' 33' ' ' ASN . 5.0 mp0 -66.01 -41.09 91.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.131 -0.534 . . . . 2.01 110.682 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.26 -47.26 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 2.37 110.944 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 94.3 mttt -54.08 -48.19 70.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 1.95 110.597 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.675 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 36.9 tt0 -64.69 -46.73 81.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.845 -0.616 . . . . 1.75 110.818 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 2.07 109.921 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 49.9 t -55.86 -37.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 1.18 110.93 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 79.7 mtt180 -70.42 -29.98 66.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.338 0.866 . . . . 3.84 113.338 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.77 -42.05 4.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.471 1.286 . . . . 2.86 114.471 -173.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.436 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 2.0 p30 -106.75 -25.42 11.74 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.538 1.063 . . . . 1.87 113.051 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 96.1 mt -98.13 1.8 47.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 1.29 110.384 174.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.582 ' CD ' ' HE2' ' A' ' 4' ' ' LYS . 15.0 pt20 -53.15 -21.28 4.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 113.305 0.854 . . . . 2.21 113.305 -173.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.476 ' HB3' ' CD ' ' A' ' 9' ' ' GLU . 26.1 t-20 -95.44 -39.19 10.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 2.9 109.913 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HE3' ' A' ' 5' ' ' MET . 2.6 m-30 -73.63 -35.75 65.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.449 0.643 . . . . 2.75 110.544 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.9 26.61 9.87 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.426 -0.806 . . . . 1.36 109.578 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 39.1 ttmt -46.05 -59.69 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.705 -1.134 . . . . 2.81 112.848 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -69.04 -30.73 69.15 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.13 -0.628 . . . . 2.0 110.271 -177.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.426 ' HG3' HG11 ' B' ' 58' ' ' VAL . 16.3 mp0 -65.34 -37.84 88.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 2.13 111.535 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -72.5 -14.93 61.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.965 0.412 . . . . 1.7 111.319 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.35 -8.74 59.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.027 -0.533 . . . . 3.82 110.523 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -122.87 146.01 47.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.502 -0.555 . . . . 1.95 109.502 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 47.6 mt-10 -88.27 -39.9 14.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.549 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.421 ' HA ' ' OE1' ' B' ' 60' ' ' GLU . 27.7 mtpp -63.6 -32.55 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 3.01 111.389 -177.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.426 HG11 ' HG3' ' B' ' 52' ' ' GLU . 43.9 t -65.37 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.957 -0.565 . . . . 1.42 110.357 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.36 -34.91 64.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.55 -0.537 . . . . 1.76 109.55 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 48.4 mt-10 -59.78 -36.29 76.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.268 -0.424 . . . . 1.85 110.974 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -68.31 -48.92 63.64 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.618 -0.264 . . . . 2.45 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.13 -33.83 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.982 0.896 . . . . 1.92 109.545 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.895 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 11.2 tpt -60.3 -39.71 87.9 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.241 -1.8 . . . . 1.26 111.954 176.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.533 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 8.4 tm-20 -115.38 -27.79 7.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 114.285 -2.966 . . . . 2.36 109.646 -169.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.5 -34.11 64.32 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.004 -0.278 . . . . 1.93 110.495 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.66 -11.41 37.08 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.529 0.566 . . . . 1.87 112.529 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.533 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 16.0 t0 -63.92 94.63 0.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.48 1.133 . . . . 1.4 111.799 -171.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.83 -45.69 40.97 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 112.819 -1.991 . . . . 2.54 113.126 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.405 ' N ' HD21 ' B' ' 69' ' ' ASN . 0.9 OUTLIER -96.54 -0.29 49.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.579 -0.282 . . . . 2.89 111.265 -171.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.88 25.49 6.78 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.711 0.632 . . . . 1.71 110.423 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.42 19.93 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 1.95 109.315 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.497 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.65 47.93 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.034 . . . . 2.22 110.168 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -143.14 140.2 30.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.962 -1.017 . . . . 2.32 110.296 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 67' ' ' ASP . 32.3 mt -108.84 118.68 37.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.447 -0.342 . . . . 1.34 110.294 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' SER . . . . . 0.594 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 48.2 t -69.32 158.1 35.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.696 -0.853 . . . . 1.78 108.696 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.781 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 31.9 p90 -52.96 -39.2 62.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.019 0.438 . . . . 3.75 111.322 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' O ' HG22 ' B' ' 80' ' ' ILE . 11.5 mt-10 -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 2.04 111.164 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.594 ' OE1' ' HB3' ' B' ' 75' ' ' SER . 3.8 mp0 -85.97 -37.71 18.72 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 112.242 0.46 . . . . 3.18 112.242 -175.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.781 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -73.02 -25.96 61.14 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.35 -0.94 . . . . 3.91 110.003 176.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.563 HG22 ' O ' ' B' ' 77' ' ' GLU . 2.8 tp -67.38 -41.21 86.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.378 -0.601 . . . . 2.62 109.378 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 82.5 mmm -57.5 -31.36 65.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.489 -0.323 . . . . 2.19 111.422 171.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.7 tm? -64.44 -36.83 85.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.856 -0.794 . . . . 1.99 108.856 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.48 ' HE2' ' HA ' ' B' ' 83' ' ' MET . 23.8 mmt -62.21 -34.55 76.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.027 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 80' ' ' ILE . . . -71.07 -37.51 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 1.15 110.739 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 81' ' ' MET . 18.6 mtp180 -62.16 -40.26 95.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.289 -0.634 . . . . 2.07 109.289 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 57.1 mt -70.41 -25.11 63.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.601 -0.727 . . . . 2.16 110.155 174.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 54.4 m -69.73 -35.19 74.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.335 -0.393 . . . . 1.2 110.173 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.548 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 89.7 t90 -65.08 -36.89 85.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.78 -0.822 . . . . 4.33 108.78 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.83 -25.18 62.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.67 -0.695 . . . . 1.84 110.674 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -79.51 -22.06 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 2.13 110.49 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.95 -32.25 71.7 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.021 -1.103 . . . . 3.9 108.021 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.3 mm-40 -73.31 -26.42 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.719 -1.128 . . . . 3.29 109.856 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.55 ' HG3' ' OE2' ' B' ' 111' ' ' GLU . 5.9 tmmm? -81.03 -21.07 40.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.791 -0.64 . . . . 6.1 109.639 176.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 17.0 tpt -63.09 -32.64 74.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 6.04 109.444 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -102.66 71.16 1.16 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.51 -0.768 . . . . 5.89 109.042 171.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 38.1 tt0 -51.95 124.78 13.54 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.99 -1.005 . . . . 5.97 110.581 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -59.08 -13.96 22.61 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 114.899 -1.046 . . . . 7.19 112.087 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.43 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 38.5 t70 -70.71 -22.32 62.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 120.881 0.372 . . . . 9.86 111.504 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.33 -25.57 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 8.93 110.789 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.06 80.05 0.11 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.812 -0.915 . . . . 6.77 110.812 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.35 137.06 20.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.701 2.267 . . . . 7.97 114.138 -173.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.54 -40.38 2.97 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 108.383 -1.887 . . . . 10.54 108.383 163.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -142.48 144.99 33.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.898 -1.519 . . . . 13.58 106.898 167.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.2 105.07 17.07 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.035 -0.666 . . . . 8.86 110.404 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -99.2 161.51 13.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 8.81 108.979 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.15 118.32 54.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 6.52 109.213 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' B' ' 111' ' ' GLU . 93.9 Cg_exo -48.32 139.29 22.32 Favored 'Trans proline' 0 C--O 1.21 -0.908 0 C-N-CA 123.864 3.043 . . . . 3.36 116.328 -171.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.06 -39.56 0.01 OUTLIER Glycine 0 C--N 1.301 -1.388 0 N-CA-C 120.864 3.106 . . . . 3.43 120.864 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.35 -58.66 0.49 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 121.506 2.653 . . . . 2.41 109.39 155.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.54 0.41 3.82 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 111.805 -2.452 . . . . 2.79 110.095 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.596 ' O ' ' HD2' ' B' ' 107' ' ' PRO . 37.9 mt-10 -53.07 152.84 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.863 1.265 . . . . 3.68 112.703 -163.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.98 111.2 1.77 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.561 -0.828 . . . . 3.02 111.652 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 32.2 p -118.81 157.03 51.22 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 110.152 -0.314 . . . . 3.92 110.152 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 122.662 2.241 . . . . 5.38 111.891 178.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 121.151 0.5 . . . . 9.36 110.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -96.36 -67.08 0.87 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 7.37 109.945 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.556 ' HA ' ' OD1' ' B' ' 47' ' ' ASN . 31.3 m 54.53 78.91 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.755 -0.657 . . . . 5.47 111.879 175.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -141.08 106.15 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.88 110.774 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' B' ' 111' ' ' GLU . 3.7 ttt -70.7 119.69 15.22 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.367 -0.605 . . . . 3.29 109.367 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' B' ' 44' ' ' ASP . 10.2 t -76.71 174.01 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.207 -0.294 . . . . 1.65 110.207 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.19 -47.28 83.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.173 0.511 . . . . 2.51 110.676 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.834 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -69.33 -38.67 78.28 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.289 -0.869 . . . . 2.42 109.252 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' B' ' 48' ' ' PHE . 25.5 tt0 -59.93 -48.13 82.97 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.737 -0.665 . . . . 2.29 110.34 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -68.77 -35.33 76.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.668 -0.696 . . . . 4.15 111.204 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.834 ' ND2' ' HA ' ' A' ' 8' ' ' LEU . 14.0 p30 -67.25 -35.7 80.08 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.829 -0.349 . . . . 2.22 110.177 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 8' ' ' LEU . 86.5 mt -64.94 -46.12 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 116.401 -0.363 . . . . 1.05 110.11 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.97 -33.59 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 1.95 111.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.8 m -57.92 -40.29 80.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.644 0.735 . . . . 0.96 109.278 174.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' OD1' ' B' ' 11' ' ' ASN . 9.5 mt -64.72 -52.07 59.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.044 -0.98 . . . . 1.12 110.799 174.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 12' ' ' ILE . 79.5 mt -58.65 -41.32 81.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.371 -0.831 . . . . 1.16 111.267 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.77 -40.77 98.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.871 0.367 . . . . 2.45 110.959 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.8 m -70.63 -50.3 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 1.42 110.526 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CE1' ' HE2' ' A' ' 79' ' ' PHE . 11.4 m-30 -55.36 -41.61 72.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.558 0.694 . . . . 4.47 109.338 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.41 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 18.5 t-80 -55.87 -41.63 74.67 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.679 -1.146 . . . . 3.54 112.34 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 18' ' ' THR . 22.4 pt20 -71.19 -32.48 68.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.083 -0.647 . . . . 1.64 110.645 -172.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CE1' HD22 ' A' ' 40' ' ' LEU . 90.9 m-85 -78.86 -32.87 46.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.642 -0.423 . . . . 2.26 110.889 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.628 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 16.6 p -79.63 -34.93 40.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.143 0.497 . . . . 1.35 111.371 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.9 p -68.27 -3.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.756 -0.656 . . . . 1.26 111.265 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.91 -30.81 71.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.647 -0.501 . . . . 2.74 109.647 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 HD22 ' A' ' 33' ' ' ASN . 75.6 mt -89.43 13.62 13.26 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.064 0.764 . . . . 2.65 113.064 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -118.72 5.66 Favored Glycine 0 N--CA 1.46 0.247 0 C-N-CA 120.5 -0.857 . . . . 1.43 111.568 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -58.05 106.02 0.63 Allowed Pre-proline 0 N--CA 1.465 0.307 0 N-CA-C 107.037 -1.468 . . . . 4.53 107.037 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 Cg_endo -77.99 48.29 2.61 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 CA-C-O 117.123 -1.282 . . . . 3.25 114.992 -152.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -71.87 4.27 3.5 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 122.749 2.522 . . . . 2.56 113.498 -153.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -154.98 158.16 38.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.952 0.406 . . . . 1.92 111.88 -170.042 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.65 119.77 40.36 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.013 -1.106 . . . . 1.23 108.013 159.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 33.6 m-20 -79.64 170.76 16.08 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.577 -0.849 . . . . 2.75 110.239 -177.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 50.3 tt0 -51.42 -40.56 59.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 2.11 111.568 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.81 -42.09 39.73 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.237 -0.745 . . . . 0.46 111.237 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 3.8 mp0 -64.54 -39.38 93.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.112 -0.544 . . . . 2.0 110.289 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 71.8 t80 -57.78 -53.36 59.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 2.37 110.623 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.06 97.8 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.821 -0.627 . . . . 1.95 110.669 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.562 ' HG3' ' HZ3' ' A' ' 43' ' ' LYS . 5.9 tp10 -60.82 -45.47 94.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.264 -0.425 . . . . 1.74 110.936 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD22 ' CE1' ' A' ' 22' ' ' TYR . 3.0 tm? -58.81 -53.76 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.43 -0.581 . . . . 2.07 109.43 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.8 t -58.66 -38.48 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.677 -0.692 . . . . 1.18 110.91 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 31.1 ttt180 -65.21 -32.69 74.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.143 -0.935 . . . . 3.84 112.919 -173.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.562 ' HZ3' ' HG3' ' A' ' 39' ' ' GLU . 10.9 mtmm -123.9 -27.04 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.968 -0.693 . . . . 2.86 112.707 -171.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' B' ' 6' ' ' SER . 5.0 m-20 -99.43 -34.26 10.35 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.437 0.637 . . . . 1.88 110.043 -174.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 84.9 mt -100.93 5.8 43.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.962 -1.017 . . . . 1.29 110.796 174.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 10.6 pt20 -49.8 -23.87 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.555 0.946 . . . . 2.21 113.555 -168.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.608 ' ND2' ' HB2' ' A' ' 111' ' ' GLU . 6.5 t30 -103.29 -38.02 7.41 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.411 -0.515 . . . . 2.9 110.492 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 4.4 t80 -65.49 -36.16 83.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.914 0.864 . . . . 2.75 109.323 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.7 mt -110.93 23.75 13.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.888 -1.051 . . . . 1.36 109.781 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.718 ' HE3' ' O ' ' A' ' 46' ' ' GLN . 2.0 tpmt? -45.2 -56.27 4.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.901 -0.591 . . . . 2.82 111.712 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HD2' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.63 -33.2 73.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.004 -0.544 . . . . 2.0 111.633 -178.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.59 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 16.2 mt-10 -75.72 -32.76 60.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.413 -0.358 . . . . 2.13 110.969 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.595 ' ND2' ' HA ' ' A' ' 46' ' ' GLN . 5.8 m-20 -66.61 -18.62 65.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.7 111.156 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.36 -1.55 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.348 0.594 . . . . 3.82 110.33 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -122.14 147.08 46.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 1.95 109.581 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.9 tp10 -87.42 -51.6 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.08 0.467 . . . . 2.46 110.098 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.25 -30.16 71.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.422 -0.808 . . . . 3.01 112.597 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG11 ' HG2' ' A' ' 52' ' ' GLU . 38.6 t -64.17 -42.66 96.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 1.43 110.431 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.5 mm -70.56 -35.63 62.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 1.76 109.905 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 10.4 mm-40 -61.03 -37.83 83.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.875 -0.602 . . . . 1.86 109.981 176.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -67.05 -49.09 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.283 -0.871 . . . . 2.45 110.646 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 48.6 mt -63.55 -34.5 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.246 0.546 . . . . 1.92 110.143 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.519 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -58.76 -52.45 65.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.742 -1.117 . . . . 1.27 110.764 177.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.52 -29.1 10.89 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 114.947 -2.701 . . . . 2.37 110.003 -165.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.0 -38.23 72.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.483 -0.487 . . . . 1.93 110.268 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 10.7 mp -72.23 -34.41 68.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.599 0.238 . . . . 1.87 111.571 174.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -65.85 92.29 0.16 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.686 0.755 . . . . 1.39 110.581 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.9 m -60.45 -25.22 65.84 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.64 -1.163 . . . . 2.54 111.564 175.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.86 -4.14 56.81 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.749 -0.38 . . . . 2.89 110.188 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.69 34.89 5.51 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.602 0.964 . . . . 1.71 113.602 169.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -116.53 14.82 15.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.382 0.61 . . . . 1.95 110.414 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 65.88 37.73 5.37 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.117 -0.947 . . . . 2.22 109.763 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.452 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 46.8 mt-30 -144.16 140.41 29.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.903 -1.498 . . . . 2.32 108.373 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.519 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 63.2 mt -117.69 116.01 26.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.479 -0.488 . . . . 1.34 110.92 -174.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -69.17 151.64 46.1 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.449 -1.685 . . . . 1.78 106.449 171.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 80' ' ' ILE . 23.0 p90 -48.9 -40.79 31.24 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.81 -0.356 . . . . 3.75 111.671 -175.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.58 ' HA ' HD13 ' A' ' 80' ' ' ILE . 4.3 mp0 -58.95 -36.36 74.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 2.03 111.621 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.67 -38.74 80.6 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.925 0.869 . . . . 3.18 109.66 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 24.0 t80 -76.76 -40.98 46.59 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.498 -0.774 . . . . 3.91 111.589 -173.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -66.55 -30.82 51.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 119.55 -0.86 . . . . 2.63 109.689 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.535 ' N ' HD12 ' A' ' 80' ' ' ILE . 80.6 mtp -54.07 -36.99 63.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.982 -0.554 . . . . 2.19 111.431 167.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 45.2 tp -58.88 -38.92 79.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.108 0.48 . . . . 1.99 109.933 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.584 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -62.7 -20.95 65.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 1.59 111.073 176.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.674 ' HB3' ' CD1' ' B' ' 80' ' ' ILE . . . -75.99 -37.72 58.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.26 0.552 . . . . 1.16 110.152 174.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' A' ' 82' ' ' LEU . 10.7 mtp180 -62.76 -38.72 91.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.29 -0.868 . . . . 2.07 108.771 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 48' ' ' PHE . 35.5 mt -70.74 -30.46 66.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.869 -1.06 . . . . 2.16 109.878 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.452 ' HA ' ' CD1' ' B' ' 16' ' ' ILE . 38.0 m -64.21 -38.15 90.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.483 -0.487 . . . . 1.2 109.866 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.513 ' O ' ' HB3' ' A' ' 91' ' ' HIS . 84.7 t90 -66.23 -36.07 82.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 4.33 110.678 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -47.57 65.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.826 0.346 . . . . 1.84 111.573 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.448 ' HB3' HD12 ' B' ' 16' ' ' ILE . 20.6 t -72.74 -23.85 60.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.972 0.415 . . . . 2.14 110.091 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 10.9 t60 -58.11 -37.58 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.48 -0.563 . . . . 3.9 109.48 172.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 27.7 mm-40 -83.01 -25.23 32.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.206 -0.906 . . . . 3.3 110.793 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HG2' ' HB2' ' A' ' 105' ' ' HIS . 16.8 ttpt -81.94 -20.52 38.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.274 0.559 . . . . 6.1 110.328 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 35.0 ttm -109.31 7.57 25.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.956 -0.565 . . . . 6.04 111.426 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -104.87 110.52 22.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.865 0.364 . . . . 5.89 111.51 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.98 160.02 21.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.926 -1.509 . . . . 5.97 106.926 163.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 100' ' ' GLY . . . -56.15 -57.72 17.76 Favored Glycine 0 CA--C 1.507 -0.433 0 C-N-CA 119.382 -1.389 . . . . 7.17 112.409 -155.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -126.3 -43.83 1.76 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 118.815 1.307 . . . . 9.86 110.854 144.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.38 3.57 9.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 114.257 -1.338 . . . . 8.93 109.158 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -179.81 137.44 3.07 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 114.558 -1.201 . . . . 6.76 110.275 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.54 133.86 38.83 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 121.747 1.631 . . . . 7.95 113.939 -170.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.05 -9.78 23.62 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.1 -2.0 . . . . 10.53 108.1 165.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -140.43 131.04 25.55 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 105.775 -1.935 . . . . 13.58 105.775 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -97.1 158.66 15.33 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.621 -0.432 . . . . 8.85 110.351 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.481 ' HB2' ' HG2' ' A' ' 93' ' ' LYS . 7.7 p-80 -97.64 158.95 15.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 8.81 110.394 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 107' ' ' PRO . 56.1 tptt -129.66 111.52 17.58 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.041 -0.527 . . . . 6.51 112.356 -170.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' HB3' ' OE1' ' A' ' 111' ' ' GLU . 90.4 Cg_exo -50.48 155.78 4.8 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.621 2.214 . . . . 3.35 110.558 161.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.509 ' H ' ' HA ' ' A' ' 111' ' ' GLU . . . 92.56 -6.62 77.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.873 -0.68 . . . . 3.44 112.116 -175.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.63 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 5.6 tp -114.83 -40.77 3.47 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.095 -1.446 . . . . 2.4 107.095 160.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 93' ' ' LYS . . . -123.83 42.51 1.56 Allowed Glycine 0 C--N 1.304 -1.225 0 CA-C-N 112.408 -2.178 . . . . 2.79 110.238 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.608 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -45.07 120.68 2.49 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.989 1.376 . . . . 3.67 111.74 -151.276 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.29 172.47 22.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 112.153 -2.294 . . . . 3.01 112.899 -156.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.1 m -110.14 114.91 55.4 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.621 -0.789 . . . . 3.92 110.551 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.811 2.341 . . . . 5.37 111.738 176.535 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.052 0.453 . . . . 9.37 110.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -97.19 -66.15 0.92 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.915 -0.584 . . . . 7.37 110.042 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.553 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 38.1 m 53.8 79.22 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 5.48 111.839 175.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.411 ' HZ1' ' NE2' ' A' ' 46' ' ' GLN . 21.6 ttpt -141.15 106.15 4.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 2.87 110.908 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.491 ' HB2' ' HB3' ' A' ' 111' ' ' GLU . 3.7 ttt -70.78 119.63 15.2 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.415 -0.587 . . . . 3.29 109.415 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' A' ' 44' ' ' ASP . 13.8 t -76.49 174.0 10.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.259 -0.274 . . . . 1.66 110.259 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -58.18 -47.29 83.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.198 0.523 . . . . 2.52 110.592 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.831 ' HA ' ' ND2' ' B' ' 11' ' ' ASN . 0.7 OUTLIER -69.52 -38.72 77.67 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.194 -0.912 . . . . 2.42 109.19 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 25.3 tt0 -59.72 -48.21 82.58 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.751 -0.659 . . . . 2.28 110.449 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.403 ' CG ' ' HB3' ' B' ' 5' ' ' MET . 80.9 mtp180 -68.71 -35.49 77.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.77 . . . . 4.16 111.234 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.831 ' ND2' ' HA ' ' B' ' 8' ' ' LEU . 13.9 p30 -67.01 -35.81 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.115 -0.328 . . . . 2.21 110.115 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 8' ' ' LEU . 86.4 mt -64.87 -46.25 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.396 -0.365 . . . . 1.06 110.122 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.0 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 1.95 111.19 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.2 m -57.95 -40.23 80.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.675 0.75 . . . . 0.96 109.298 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.555 HG12 ' OD1' ' A' ' 11' ' ' ASN . 9.5 mt -64.88 -52.02 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.962 -1.017 . . . . 1.13 110.79 175.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 12' ' ' ILE . 79.3 mt -58.73 -41.17 81.7 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 115.355 -0.838 . . . . 1.16 111.321 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.62 -41.04 98.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 2.45 110.939 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.595 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 21.9 m -70.35 -50.3 40.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 1.41 110.578 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HE2' ' B' ' 79' ' ' PHE . 11.5 m-30 -55.45 -41.5 72.98 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.539 0.685 . . . . 4.47 109.383 176.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.41 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 18.0 t-80 -55.92 -41.63 74.85 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.622 -1.172 . . . . 3.55 112.336 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' B' ' 18' ' ' THR . 22.6 pt20 -71.26 -32.43 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.204 -0.598 . . . . 1.64 110.634 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.53 ' CE1' HD22 ' B' ' 40' ' ' LEU . 90.8 m-85 -78.87 -32.86 46.1 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.68 -0.408 . . . . 2.25 110.987 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.628 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 17.1 p -79.76 -34.63 39.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.11 0.481 . . . . 1.35 111.373 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.561 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -68.56 -3.97 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.749 -0.659 . . . . 1.26 111.292 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.06 -30.68 71.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.684 -0.488 . . . . 2.74 109.684 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.426 HD11 HD22 ' B' ' 33' ' ' ASN . 75.2 mt -89.41 13.35 13.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.986 0.736 . . . . 2.65 112.986 174.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.09 -118.64 5.69 Favored Glycine 0 N--CA 1.461 0.349 0 C-N-CA 120.482 -0.866 . . . . 1.43 111.59 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -58.21 105.79 0.6 Allowed Pre-proline 0 N--CA 1.464 0.254 0 N-CA-C 106.985 -1.487 . . . . 4.53 106.985 166.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.628 ' O ' ' HB2' ' B' ' 23' ' ' SER . 41.2 Cg_endo -77.86 48.02 2.51 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-O 117.131 -1.279 . . . . 3.25 114.981 -152.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.06 4.9 3.06 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 122.718 2.508 . . . . 2.56 113.479 -153.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 74' ' ' LEU . 0.9 OUTLIER -155.26 158.17 38.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.034 0.445 . . . . 1.92 111.922 -170.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -107.7 119.7 40.17 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.038 -1.097 . . . . 1.23 108.038 159.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.446 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 34.2 m-20 -79.64 170.73 16.12 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.486 -0.885 . . . . 2.74 110.247 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.426 ' HA ' ' HE2' ' B' ' 63' ' ' MET . 50.0 tt0 -51.26 -40.76 59.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.895 0.379 . . . . 2.11 111.58 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.67 40.01 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.184 -0.766 . . . . 0.46 111.184 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.446 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.4 mp0 -64.82 -39.29 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.153 -0.524 . . . . 2.01 110.289 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.428 ' CD2' ' HE1' ' B' ' 79' ' ' PHE . 71.2 t80 -57.95 -53.21 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 2.37 110.634 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.04 97.75 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.892 -0.595 . . . . 1.95 110.793 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.573 ' HG3' ' HZ3' ' B' ' 43' ' ' LYS . 5.9 tp10 -60.97 -45.44 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 1.75 110.98 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.53 HD22 ' CE1' ' B' ' 22' ' ' TYR . 3.0 tm? -58.73 -53.75 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.506 -0.553 . . . . 2.07 109.506 178.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 77.1 t -58.69 -38.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 1.18 110.86 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 31.3 ttt180 -65.39 -32.53 74.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.154 -0.93 . . . . 3.84 112.932 -173.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.573 ' HZ3' ' HG3' ' B' ' 39' ' ' GLU . 10.9 mtmm -124.0 -26.97 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.99 -0.684 . . . . 2.86 112.844 -171.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 6' ' ' SER . 5.2 m-20 -99.38 -34.38 10.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.39 0.614 . . . . 1.87 110.149 -174.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 85.1 mt -100.92 5.8 43.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.023 -0.99 . . . . 1.29 110.786 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.711 ' O ' ' HE3' ' B' ' 50' ' ' LYS . 10.5 pt20 -49.81 -24.02 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.555 0.946 . . . . 2.21 113.555 -168.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.608 ' ND2' ' HB2' ' B' ' 111' ' ' GLU . 6.4 t30 -103.41 -37.45 7.61 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.365 -0.534 . . . . 2.9 110.498 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.617 ' HA ' ' O ' ' B' ' 109' ' ' LEU . 4.6 t80 -65.85 -36.59 83.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.851 0.834 . . . . 2.75 109.168 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.3 mt -110.61 23.87 13.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.865 -1.061 . . . . 1.36 109.886 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.711 ' HE3' ' O ' ' B' ' 46' ' ' GLN . 2.0 tpmt? -45.09 -56.37 4.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.873 -0.603 . . . . 2.81 111.679 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.598 ' HD2' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -61.77 -32.91 73.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 2.0 111.707 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.598 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 15.8 mt-10 -75.99 -32.63 59.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.916 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' B' ' 46' ' ' GLN . 5.9 m-20 -66.47 -19.23 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 1.7 110.965 -178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.04 -1.12 54.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.246 0.546 . . . . 3.82 110.373 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.46 147.2 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.979 -0.555 . . . . 1.95 109.577 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 tp10 -87.5 -51.57 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 2.46 110.188 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.29 -30.35 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 3.01 112.541 -171.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.482 HG11 ' HG2' ' B' ' 52' ' ' GLU . 38.6 t -64.02 -42.69 96.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.207 -0.451 . . . . 1.42 110.46 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.6 mm -70.75 -35.65 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.76 109.918 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 10.1 mm-40 -60.86 -37.79 83.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 1.85 110.052 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -66.98 -49.26 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 2.45 110.533 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 48.1 mt -63.56 -34.33 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 1.92 110.197 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.521 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -58.9 -52.57 65.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.785 -1.098 . . . . 1.26 110.781 177.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.38 -29.08 10.97 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 114.92 -2.712 . . . . 2.36 109.951 -165.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 -38.32 73.01 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.523 -0.471 . . . . 1.93 110.402 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 10.6 mp -72.33 -34.24 67.9 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.583 0.23 . . . . 1.87 111.537 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.79 92.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.725 0.774 . . . . 1.4 110.456 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 m -60.98 -25.07 66.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.6 -1.182 . . . . 2.54 111.531 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -91.05 -4.22 56.53 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.802 -0.359 . . . . 2.89 110.221 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.59 35.16 5.71 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.612 0.967 . . . . 1.71 113.612 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -116.71 14.7 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.408 0.623 . . . . 1.95 110.258 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.786 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.1 OUTLIER 65.91 37.84 5.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.156 -0.929 . . . . 2.22 109.783 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.453 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 47.1 mt-30 -144.07 140.49 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.961 -1.472 . . . . 2.32 108.325 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.521 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 63.3 mt -117.66 116.05 26.29 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.524 -0.471 . . . . 1.34 110.903 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 10.1 t -69.15 151.68 46.07 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.576 -1.639 . . . . 1.78 106.576 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.673 ' O ' HG23 ' B' ' 80' ' ' ILE . 22.8 p90 -48.78 -40.89 30.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.029 0.377 . . . . 3.75 111.648 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.585 ' HA ' HD13 ' B' ' 80' ' ' ILE . 4.1 mp0 -58.95 -36.27 74.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.916 0.388 . . . . 2.04 111.585 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.87 -38.84 79.99 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.888 0.851 . . . . 3.18 109.52 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 24.0 t80 -76.72 -41.1 46.48 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.569 -0.741 . . . . 3.91 111.607 -173.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.674 ' CD1' ' HB3' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -66.29 -30.91 51.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 119.592 -0.843 . . . . 2.62 109.701 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.536 ' N ' HD12 ' B' ' 80' ' ' ILE . 81.9 mtp -54.12 -36.93 63.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 2.19 111.577 167.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 45.0 tp -58.83 -38.98 79.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.99 109.952 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' B' ' 80' ' ' ILE . 0.0 OUTLIER -62.67 -21.02 65.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 1.59 111.015 176.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.679 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -75.8 -37.84 58.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.364 0.602 . . . . 1.15 110.06 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' B' ' 82' ' ' LEU . 10.9 mtp180 -62.74 -38.78 91.87 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.31 -0.859 . . . . 2.07 108.79 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' B' ' 48' ' ' PHE . 35.2 mt -70.67 -30.51 67.12 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.841 -1.072 . . . . 2.16 110.019 174.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' THR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 37.8 m -64.14 -38.15 90.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.445 -0.502 . . . . 1.2 109.843 175.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.511 ' O ' ' HB3' ' B' ' 91' ' ' HIS . 84.2 t90 -66.28 -36.13 82.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 4.33 110.687 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.57 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.882 -0.327 . . . . 1.84 111.531 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.437 ' HB3' HD12 ' A' ' 16' ' ' ILE . 19.0 t -72.71 -23.81 60.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.946 0.403 . . . . 2.13 110.181 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 11.0 t60 -58.15 -37.78 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.432 -0.581 . . . . 3.9 109.432 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 26.4 mm-40 -82.86 -25.36 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.099 -0.955 . . . . 3.29 110.72 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' B' ' 105' ' ' HIS . 16.8 ttpt -81.87 -20.33 39.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 6.1 110.397 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 35.0 ttm -109.37 7.2 24.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.969 -0.559 . . . . 6.04 111.483 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -104.64 110.63 23.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 5.89 111.426 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.08 160.11 21.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.918 -1.512 . . . . 5.97 106.918 163.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' B' ' 100' ' ' GLY . . . -56.21 -57.47 19.04 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 119.324 -1.417 . . . . 7.19 112.539 -155.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -126.34 -43.76 1.75 Allowed 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 118.738 1.269 . . . . 9.86 110.889 144.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.47 3.43 9.05 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.135 -1.393 . . . . 8.93 109.129 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' B' ' 97' ' ' GLY . . . -179.71 137.26 3.02 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.599 -1.182 . . . . 6.77 110.491 -174.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.44 133.76 38.69 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 121.849 1.699 . . . . 7.97 113.734 -170.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.15 -9.75 23.5 Favored Glycine 0 CA--C 1.505 -0.567 0 N-CA-C 108.044 -2.022 . . . . 10.54 108.044 165.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -140.29 131.09 25.87 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.869 -1.9 . . . . 13.58 105.869 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -96.89 158.83 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.602 -0.439 . . . . 8.86 110.407 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . 0.478 ' HB2' ' HG2' ' B' ' 93' ' ' LYS . 7.5 p-80 -97.67 158.72 15.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.006 -0.543 . . . . 8.81 110.493 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' B' ' 107' ' ' PRO . 56.1 tptt -129.45 111.76 17.89 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-O 121.167 0.508 . . . . 6.52 112.295 -170.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.441 ' HB3' ' OE1' ' B' ' 111' ' ' GLU . 90.2 Cg_exo -50.72 155.73 5.22 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.719 2.279 . . . . 3.36 110.636 161.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.516 ' H ' ' HA ' ' B' ' 111' ' ' GLU . . . 92.51 -6.55 77.76 Favored Glycine 0 C--O 1.226 -0.347 0 C-N-CA 120.914 -0.66 . . . . 3.43 112.112 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.617 ' O ' ' HA ' ' B' ' 48' ' ' PHE . 5.8 tp -114.81 -40.8 3.47 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.217 -1.401 . . . . 2.41 107.217 160.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.454 ' HA3' ' HD3' ' B' ' 93' ' ' LYS . . . -123.96 42.49 1.56 Allowed Glycine 0 C--N 1.303 -1.26 0 CA-C-N 112.323 -2.217 . . . . 2.79 110.081 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.608 ' HB2' ' ND2' ' B' ' 47' ' ' ASN . 0.4 OUTLIER -44.96 121.02 2.58 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 122.986 1.374 . . . . 3.68 111.713 -151.309 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.53 172.72 22.37 Favored Glycine 0 N--CA 1.432 -1.605 0 CA-C-N 112.174 -2.285 . . . . 3.02 112.968 -156.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 26.6 m -110.14 115.42 54.74 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 114.47 -0.865 . . . . 3.92 110.358 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.963 2.442 . . . . 5.38 111.683 175.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.648 0.261 . . . . 9.36 110.624 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 t -159.23 129.52 5.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.475 -0.329 . . . . 7.37 110.371 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p 48.26 69.51 0.54 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.398 0.679 . . . . 5.47 112.177 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -79.96 9.64 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 2.88 111.276 179.18 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtm -42.54 126.01 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.29 112.349 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -80.78 178.48 8.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.96 -1.018 . . . . 1.65 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.9 tp-100 -56.24 -45.09 80.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.135 -0.32 . . . . 2.51 110.135 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.8 tp -62.84 -45.51 92.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.506 . . . . 2.42 110.966 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.715 ' OE2' ' HB2' ' B' ' 48' ' ' PHE . 1.6 mm-40 -61.2 -50.64 72.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.237 0.542 . . . . 2.29 110.388 -176.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 25.3 mmt180 -60.71 -37.53 82.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.265 -0.879 . . . . 4.15 110.488 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.711 ' ND2' HG13 ' B' ' 15' ' ' ILE . 4.1 t30 -69.62 -44.44 70.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.739 -1.119 . . . . 2.22 110.717 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 8' ' ' LEU . 94.7 mt -61.13 -47.78 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 1.05 110.634 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -63.82 -32.48 74.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 1.95 111.093 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.7 m -58.4 -43.52 88.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 121.086 -0.245 . . . . 0.96 110.872 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.712 HG13 ' ND2' ' B' ' 11' ' ' ASN . 63.2 mt -64.77 -46.29 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.952 0.406 . . . . 1.12 110.438 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 76.5 mt -59.46 -40.49 81.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.588 -0.733 . . . . 1.16 110.671 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 73.1 m-20 -70.1 -31.37 68.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 2.45 112.012 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 45.2 m -69.07 -50.34 49.23 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.386 0.612 . . . . 1.42 109.57 177.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -54.31 -43.45 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.511 -0.768 . . . . 4.47 108.964 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.665 ' CE1' ' HB3' ' B' ' 96' ' ' GLU . 13.4 t-160 -55.28 -51.22 67.38 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.805 -1.089 . . . . 3.54 112.048 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.8 pt20 -66.51 -32.95 74.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.919 0.34 . . . . 1.64 111.919 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CD2' HD22 ' A' ' 40' ' ' LEU . 89.3 m-85 -79.16 -33.53 43.98 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.094 -0.642 . . . . 2.26 111.059 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.639 ' OG ' ' HG ' ' A' ' 32' ' ' LEU . 18.5 m -77.57 -28.55 51.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.472 0.653 . . . . 1.35 110.75 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.616 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.5 p -74.81 -2.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 1.26 111.625 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 82.4 mttt -59.62 -23.91 63.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 120.552 -0.459 . . . . 2.74 110.566 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.582 HD12 ' ND2' ' A' ' 33' ' ' ASN . 5.3 mp -87.66 -19.01 28.29 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.22 0.452 . . . . 2.65 112.22 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.42 141.66 5.19 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 110.703 -0.959 . . . . 1.43 110.703 -170.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 38.77 80.04 0.29 Allowed Pre-proline 0 N--CA 1.481 1.076 0 N-CA-C 108.085 -1.08 . . . . 4.53 108.085 -166.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.616 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 49.6 Cg_endo -74.65 40.51 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.438 0 N-CA-C 116.586 1.726 . . . . 3.25 116.586 -146.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -72.16 7.92 1.51 Allowed 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 123.5 2.864 . . . . 2.56 113.497 -149.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 41.7 p -154.48 147.65 24.78 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.058 0.543 . . . . 1.92 110.918 -166.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.639 ' HG ' ' OG ' ' A' ' 23' ' ' SER . 17.3 mt -105.31 121.01 42.99 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.035 -1.098 . . . . 1.23 108.035 159.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.582 ' ND2' HD12 ' A' ' 26' ' ' LEU . 15.6 m-80 -80.6 176.92 9.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.302 -1.359 . . . . 2.75 109.171 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.684 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 54.3 tt0 -54.78 -42.41 71.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.177 -0.465 . . . . 2.11 111.181 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.82 -40.73 51.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.831 -0.699 . . . . 0.46 112.159 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG3' ' HD2' ' A' ' 25' ' ' LYS . 1.9 mp0 -67.53 -39.39 85.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.541 -0.329 . . . . 2.0 110.709 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CD1' HD13 ' A' ' 74' ' ' LEU . 54.4 t80 -65.52 -43.75 89.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 2.37 110.9 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.684 ' HD3' ' O ' ' A' ' 34' ' ' GLN . 2.7 mptm? -53.6 -43.42 68.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.737 -0.468 . . . . 1.95 109.737 175.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.32 -45.09 85.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.363 -0.835 . . . . 1.74 111.273 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 22' ' ' TYR . 2.7 tm? -59.31 -46.89 87.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.717 -0.475 . . . . 2.07 109.717 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 85.3 t -58.52 -36.39 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.965 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.697 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 12.2 mmm180 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.567 0.58 . . . . 3.84 112.567 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -103.0 -45.67 4.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.712 1.004 . . . . 2.86 113.712 -169.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -43.56 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.737 -0.785 . . . . 1.88 111.222 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.612 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 75.9 mt -80.35 3.52 20.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.259 0.552 . . . . 1.29 111.055 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.526 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 8.7 pt20 -51.62 -22.32 3.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.263 -0.88 . . . . 2.21 112.051 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.648 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 3.8 t30 -100.61 -50.65 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 2.9 110.975 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.723 ' HB2' ' OE2' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.77 -32.33 69.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.458 0.647 . . . . 2.75 109.743 -174.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.1 mt -110.17 21.48 16.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.625 -0.716 . . . . 1.36 111.369 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.03 -41.34 34.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.876 0.695 . . . . 2.82 112.876 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -63.02 -39.47 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.481 0.658 . . . . 2.0 110.326 -178.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 29.9 tt0 -74.16 -32.7 63.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.079 -0.964 . . . . 2.13 110.232 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.697 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 24.3 t-20 -62.18 -21.46 65.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.872 -1.058 . . . . 1.7 111.383 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 14.7 tmtt? -82.51 -16.76 47.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.732 -0.667 . . . . 3.82 110.863 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -125.96 145.9 50.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.937 -0.394 . . . . 1.95 109.937 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 36.4 tt0 -82.04 -41.29 20.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.871 0.367 . . . . 2.46 110.497 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.69 -32.4 72.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 3.01 111.958 -171.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 6.4 t -67.86 -39.72 82.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.183 0.516 . . . . 1.43 109.702 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.89 -34.46 64.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.425 -0.807 . . . . 1.76 110.386 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HG2' ' CE ' ' A' ' 38' ' ' LYS . 8.7 mt-10 -65.05 -34.55 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 1.86 110.433 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.61 -47.81 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.562 -0.533 . . . . 2.45 109.562 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 47.8 mm -62.67 -33.98 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.435 0.636 . . . . 1.92 110.557 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 13.4 tpt -59.23 -49.26 78.52 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 114.594 -1.184 . . . . 1.27 111.74 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 tm-20 -107.72 -28.54 9.64 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 114.656 -2.818 . . . . 2.37 109.265 -166.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.94 -34.15 65.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.547 -0.461 . . . . 1.93 110.069 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 7.6 mp -93.54 -12.18 30.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.67 0.619 . . . . 1.87 112.67 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 21.0 t0 -62.46 84.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.292 1.044 . . . . 1.39 110.266 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -65.99 -33.9 76.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.493 -1.685 . . . . 2.54 112.129 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.31 -2.31 58.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.437 0.637 . . . . 2.89 109.591 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.37 23.92 7.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.809 -1.087 . . . . 1.71 113.667 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.1 22.87 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.191 -0.318 . . . . 1.95 111.205 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 66.32 43.31 2.75 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.629 0.728 . . . . 2.22 110.204 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -144.67 140.07 28.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.689 -1.141 . . . . 2.32 108.803 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.578 ' HB3' ' CD ' ' A' ' 78' ' ' GLU . 16.0 mt -111.92 116.84 31.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.183 0.516 . . . . 1.34 111.227 -174.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 25.3 t -97.29 150.14 21.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.825 -1.176 . . . . 1.78 107.825 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.514 ' O ' HG22 ' A' ' 80' ' ' ILE . 17.9 t80 -45.6 -34.28 3.3 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.825 1.046 . . . . 3.75 113.825 -169.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' A' ' 80' ' ' ILE . 2.2 mp0 -56.58 -28.21 59.75 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.954 0.883 . . . . 2.03 109.962 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.578 ' CD ' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.02 -44.58 79.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.489 0.661 . . . . 3.18 109.833 172.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.529 ' O ' ' HG2' ' A' ' 83' ' ' MET . 16.4 t80 -70.51 -29.08 65.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.887 -1.051 . . . . 3.91 110.308 -173.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.808 HG12 ' O ' ' A' ' 77' ' ' GLU . 5.9 pt -64.93 -45.76 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.021 -0.733 . . . . 2.63 109.021 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.604 ' SD ' ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -52.46 -38.12 58.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.119 0.485 . . . . 2.19 110.206 172.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.91 -36.48 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 1.99 110.245 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 33.1 mmt -59.69 -29.85 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 1.59 110.27 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB1' HG21 ' B' ' 80' ' ' ILE . . . -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.144 0.497 . . . . 1.16 110.48 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.604 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 14.5 mtp180 -67.78 -37.2 81.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.781 -0.645 . . . . 2.07 109.618 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.12 -28.01 66.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.752 -0.658 . . . . 2.16 109.749 172.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 28.4 m -69.84 -28.37 65.62 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.166 -0.47 . . . . 1.2 110.841 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -68.78 -37.02 79.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.605 0.717 . . . . 4.33 109.229 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.584 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 1.84 110.072 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 94' ' ' MET . 19.3 m -86.59 -2.08 58.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.983 -0.553 . . . . 2.14 110.057 175.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.51 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 55.5 t-80 -84.63 -33.05 23.38 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.183 -1.043 . . . . 3.9 108.183 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -76.47 -33.57 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.925 -1.034 . . . . 3.3 110.535 170.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 109' ' ' LEU . 26.0 mtmt -81.91 -4.61 57.0 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.792 0.329 . . . . 6.1 111.433 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.51 ' HB2' ' HA ' ' A' ' 91' ' ' HIS . 36.9 ttp -66.63 9.06 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.645 0.979 . . . . 6.04 113.645 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.52 105.17 1.76 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.575 0.702 . . . . 5.89 109.953 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.654 ' HB3' ' CE1' ' B' ' 20' ' ' HIS . 0.3 OUTLIER -96.13 166.05 11.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.973 -1.012 . . . . 5.97 111.58 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.4 -8.49 0.51 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 113.016 -1.902 . . . . 7.17 114.214 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.578 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 22.4 t70 -66.75 -23.76 66.13 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.044 0.45 . . . . 9.86 111.012 -173.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.5 19.31 16.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.808 0.813 . . . . 8.93 108.973 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.49 -158.56 8.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.25 -0.886 . . . . 6.76 112.191 -171.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.15 162.17 9.88 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.309 2.673 . . . . 7.95 112.018 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.4 -6.93 84.77 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 116.227 -0.442 . . . . 10.53 112.075 -171.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -138.38 132.34 31.32 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.048 -1.464 . . . . 13.58 107.048 168.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.459 ' ND1' ' HA ' ' A' ' 96' ' ' GLU . 1.9 p80 -122.11 146.77 46.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.2 0.524 . . . . 8.85 111.552 -167.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -142.78 129.13 19.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.573 -0.899 . . . . 8.81 108.573 171.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -119.09 103.85 47.14 Favored Pre-proline 0 C--N 1.318 -0.769 0 C-N-CA 120.6 -0.44 . . . . 6.51 110.224 -176.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -72.68 162.03 42.33 Favored 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.488 2.792 . . . . 3.35 111.316 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.594 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 94.25 43.51 3.74 Favored Glycine 0 N--CA 1.429 -1.811 0 C-N-CA 118.87 -1.633 . . . . 3.44 114.905 159.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 93' ' ' LYS . 4.0 tt -87.59 -46.35 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 105.799 -1.926 . . . . 2.4 105.799 161.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.648 ' HA3' ' O ' ' A' ' 47' ' ' ASN . . . -124.38 -16.1 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 114.355 -1.293 . . . . 2.79 110.474 160.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.594 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 2.3 mp0 -68.31 152.21 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.007 -0.596 . . . . 3.67 111.629 -171.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.62 111.64 1.05 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.169 -0.772 . . . . 3.01 111.169 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t -124.53 144.48 46.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.034 -0.358 . . . . 3.92 110.034 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 122.854 2.369 . . . . 5.37 112.269 177.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.61 0.243 . . . . 9.37 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -158.5 129.47 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.469 -0.332 . . . . 7.37 110.504 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p 48.11 69.56 0.53 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.332 0.653 . . . . 5.48 112.192 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.41 ' HB2' ' HZ1' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -79.98 9.87 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.9 -0.591 . . . . 2.87 111.264 179.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtm -42.67 126.06 3.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 3.29 112.322 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -80.77 178.42 8.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.842 -1.072 . . . . 1.66 109.58 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp-100 -56.45 -44.96 81.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.096 -0.335 . . . . 2.52 110.096 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.539 ' O ' HG13 ' B' ' 12' ' ' ILE . 22.8 tp -62.92 -45.32 93.05 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.21 -0.45 . . . . 2.42 111.018 -178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.723 ' OE2' ' HB2' ' A' ' 48' ' ' PHE . 1.6 mm-40 -61.28 -50.58 72.45 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.234 0.54 . . . . 2.28 110.484 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 25.3 mmt180 -60.68 -37.61 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 4.16 110.407 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.712 ' ND2' HG13 ' A' ' 15' ' ' ILE . 4.3 t30 -69.55 -44.48 70.84 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.692 -1.14 . . . . 2.21 110.743 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.539 HG13 ' O ' ' B' ' 8' ' ' LEU . 94.1 mt -61.21 -47.69 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 1.06 110.662 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -63.76 -32.59 74.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.091 -0.504 . . . . 1.95 111.081 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 93.9 m -58.34 -43.49 88.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.7 0.286 . . . . 0.96 110.978 176.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.711 HG13 ' ND2' ' A' ' 11' ' ' ASN . 63.3 mt -64.91 -46.08 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.949 0.404 . . . . 1.13 110.406 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 76.0 mt -59.49 -40.64 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.539 -0.755 . . . . 1.16 110.561 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 73.5 m-20 -70.16 -31.29 68.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.277 -0.42 . . . . 2.45 112.032 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 38.8 m -68.89 -50.47 49.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.457 0.646 . . . . 1.41 109.645 177.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.23 -43.38 70.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.418 -0.81 . . . . 4.47 109.035 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.654 ' CE1' ' HB3' ' A' ' 96' ' ' GLU . 13.4 t-160 -55.47 -51.26 67.53 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.722 -1.126 . . . . 3.55 112.039 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.8 pt20 -66.41 -32.79 74.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.918 0.34 . . . . 1.64 111.918 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.536 ' CD2' HD22 ' B' ' 40' ' ' LEU . 89.3 m-85 -79.28 -33.48 43.35 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.116 -0.634 . . . . 2.25 111.081 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.632 ' OG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 m -77.72 -28.46 50.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.513 0.673 . . . . 1.35 110.776 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.625 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -75.0 -2.35 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-N 115.571 -0.74 . . . . 1.26 111.658 -175.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.518 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 82.2 mttt -59.76 -24.18 63.85 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.655 -0.418 . . . . 2.74 110.468 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.59 HD12 ' ND2' ' B' ' 33' ' ' ASN . 5.3 mp -87.56 -19.23 28.13 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.237 0.458 . . . . 2.65 112.237 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.68 141.69 5.37 Favored Glycine 0 N--CA 1.461 0.361 0 CA-C-O 118.822 -0.988 . . . . 1.43 110.735 -170.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 38.75 79.87 0.3 Allowed Pre-proline 0 N--CA 1.479 0.99 0 N-CA-C 108.071 -1.085 . . . . 4.53 108.071 -166.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.625 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 50.3 Cg_endo -74.58 40.53 0.63 Allowed 'Trans proline' 0 CA--C 1.515 -0.439 0 N-CA-C 116.562 1.716 . . . . 3.25 116.562 -145.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -72.11 7.87 1.51 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 123.515 2.871 . . . . 2.56 113.46 -149.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' PRO . 43.1 p -154.42 147.49 24.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.146 0.579 . . . . 1.92 111.008 -165.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.632 ' HG ' ' OG ' ' B' ' 23' ' ' SER . 17.3 mt -105.3 121.03 43.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.97 -1.122 . . . . 1.23 107.97 159.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.59 ' ND2' HD12 ' B' ' 26' ' ' LEU . 14.3 m-80 -80.62 176.92 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.373 -1.331 . . . . 2.74 109.088 175.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.691 ' O ' ' HD3' ' B' ' 38' ' ' LYS . 54.9 tt0 -55.0 -42.32 72.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.147 -0.479 . . . . 2.11 111.072 -174.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.78 -40.83 51.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.928 -0.653 . . . . 0.46 112.17 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.518 ' HG3' ' HD2' ' B' ' 25' ' ' LYS . 2.0 mp0 -67.53 -39.39 85.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.323 . . . . 2.01 110.733 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' HD13 ' B' ' 74' ' ' LEU . 54.2 t80 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 2.37 110.933 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.691 ' HD3' ' O ' ' B' ' 34' ' ' GLN . 2.7 mptm? -53.69 -43.24 68.76 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.781 -0.452 . . . . 1.95 109.781 175.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.47 -44.84 85.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.4 -0.818 . . . . 1.75 111.399 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' B' ' 22' ' ' TYR . 2.7 tm? -59.59 -46.77 87.95 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.615 -0.513 . . . . 2.07 109.615 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.551 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 84.6 t -58.61 -36.48 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 1.18 110.873 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.681 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 12.1 mmm180 -74.64 -31.33 61.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 112.537 0.569 . . . . 3.84 112.537 -173.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.78 -45.68 4.93 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.66 0.985 . . . . 2.86 113.66 -169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.61 -43.42 6.84 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.714 -0.795 . . . . 1.87 111.29 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.616 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 75.8 mt -80.41 3.51 21.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.696 0.623 . . . . 1.29 111.05 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.524 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 8.8 pt20 -51.53 -22.41 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.302 -0.863 . . . . 2.21 111.993 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.654 ' O ' ' HA3' ' B' ' 110' ' ' GLY . 3.8 t30 -100.61 -50.62 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 2.9 110.978 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.715 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -70.74 -32.2 69.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.489 0.661 . . . . 2.75 109.812 -174.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 70.1 mt -110.33 21.47 16.66 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.578 -0.737 . . . . 1.36 111.389 176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.13 -41.07 34.92 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.843 0.683 . . . . 2.81 112.843 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.531 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -63.04 -39.93 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.637 . . . . 2.0 110.279 -179.179 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 30.5 tt0 -73.95 -32.39 63.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.168 -0.923 . . . . 2.13 110.19 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.681 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 24.3 t-20 -62.24 -21.69 65.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.92 -1.036 . . . . 1.7 111.437 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' B' ' 54' ' ' LYS . 14.8 tmtt? -82.33 -17.18 46.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 3.82 110.784 -173.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.54 146.15 49.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.879 -0.415 . . . . 1.95 109.879 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 36.6 tt0 -82.37 -41.43 19.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.846 0.355 . . . . 2.46 110.469 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.66 -32.35 72.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.671 . . . . 3.01 111.95 -171.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 6.2 t -67.86 -39.64 82.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.256 0.55 . . . . 1.42 109.729 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.04 -34.3 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 1.76 110.384 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.506 ' HG2' ' CE ' ' B' ' 38' ' ' LYS . 8.4 mt-10 -65.11 -34.74 79.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 1.85 110.483 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.45 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.617 -0.512 . . . . 2.45 109.617 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 47.7 mm -62.74 -33.8 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.877 -0.601 . . . . 1.92 110.648 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 13.4 tpt -59.42 -49.28 78.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.612 -1.177 . . . . 1.26 111.663 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.465 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 6.4 tm-20 -107.63 -28.64 9.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 114.71 -2.796 . . . . 2.36 109.387 -166.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.09 -33.87 65.48 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.628 -0.429 . . . . 1.93 110.13 170.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 7.6 mp -93.58 -12.14 30.21 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.747 0.647 . . . . 1.87 112.747 175.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.3 t0 -62.5 84.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 122.188 0.994 . . . . 1.4 110.449 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.8 t -65.6 -33.85 76.86 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.65 -1.614 . . . . 2.54 112.105 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -88.35 -2.29 58.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.453 0.644 . . . . 2.89 109.664 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.49 24.01 8.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.65 -1.159 . . . . 1.71 113.605 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.19 22.93 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.086 -0.245 . . . . 1.95 111.206 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.524 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 66.23 43.32 2.83 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.628 0.727 . . . . 2.22 110.298 -179.628 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.74 140.12 28.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.631 -1.168 . . . . 2.32 108.797 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.572 ' HB3' ' CD ' ' B' ' 78' ' ' GLU . 16.1 mt -111.87 116.99 31.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.23 0.538 . . . . 1.34 111.327 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' B' ' 78' ' ' GLU . 25.4 t -97.43 150.06 21.45 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.911 -1.144 . . . . 1.78 107.911 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.502 ' O ' HG22 ' B' ' 80' ' ' ILE . 17.7 t80 -45.63 -34.14 3.28 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.916 1.08 . . . . 3.75 113.916 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' B' ' 80' ' ' ILE . 2.2 mp0 -56.6 -28.4 60.26 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 122.029 0.919 . . . . 2.04 109.983 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.572 ' CD ' ' HB3' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -66.74 -44.56 81.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.609 0.718 . . . . 3.18 109.938 172.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.532 ' O ' ' HG2' ' B' ' 83' ' ' MET . 16.3 t80 -70.61 -29.02 65.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.817 -1.083 . . . . 3.91 110.4 -173.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.808 HG12 ' O ' ' B' ' 77' ' ' GLU . 5.9 pt -64.91 -45.97 93.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.954 -0.758 . . . . 2.62 108.954 175.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.598 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -52.23 -38.15 57.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.061 0.458 . . . . 2.19 110.223 172.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.94 -36.42 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 1.99 110.259 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 33.1 mmt -59.73 -29.85 68.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 1.59 110.272 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 80' ' ' ILE . . . -74.76 -38.87 62.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.211 0.529 . . . . 1.15 110.563 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.598 ' HD2' ' SD ' ' B' ' 81' ' ' MET . 14.6 mtp180 -67.98 -37.0 80.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.66 -0.7 . . . . 2.07 109.637 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.28 -28.0 65.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 2.16 109.714 172.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 28.0 m -69.88 -28.36 65.58 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.236 -0.438 . . . . 1.2 110.868 174.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -68.68 -37.1 79.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.595 0.712 . . . . 4.33 109.293 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.865 0.841 . . . . 1.84 110.144 174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' B' ' 94' ' ' MET . 19.3 m -86.5 -2.22 58.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.763 -0.653 . . . . 2.13 109.955 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . 0.513 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 55.4 t-80 -84.47 -33.11 23.68 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.241 -1.022 . . . . 3.9 108.241 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 1.0 OUTLIER -76.35 -33.75 58.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.905 -1.043 . . . . 3.29 110.527 170.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' B' ' 109' ' ' LEU . 26.0 mtmt -81.79 -4.6 56.79 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.859 0.361 . . . . 6.1 111.416 173.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.513 ' HB2' ' HA ' ' B' ' 91' ' ' HIS . 36.5 ttp -66.69 9.06 0.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.792 1.034 . . . . 6.04 113.792 -173.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -67.48 104.78 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.585 0.707 . . . . 5.89 110.069 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.665 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -95.81 165.92 12.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.951 -1.022 . . . . 5.97 111.588 -175.066 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.41 -8.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 112.991 -1.913 . . . . 7.19 114.279 -175.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.569 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 19.8 t70 -67.0 -23.44 65.93 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 121.152 0.501 . . . . 9.86 111.113 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -114.72 19.4 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.897 0.856 . . . . 8.93 108.945 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.81 -158.59 8.58 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.166 -0.925 . . . . 6.77 112.042 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.24 162.26 9.93 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.427 2.751 . . . . 7.97 111.965 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 -7.37 84.77 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.192 -0.458 . . . . 10.54 112.076 -171.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -138.22 132.22 31.45 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.055 -1.461 . . . . 13.58 107.055 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.448 ' ND1' ' HA ' ' B' ' 96' ' ' GLU . 1.8 p80 -121.92 146.82 46.75 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.42 -0.512 . . . . 8.86 111.571 -167.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -142.82 129.03 19.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.472 -0.936 . . . . 8.81 108.472 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.96 103.65 47.72 Favored Pre-proline 0 C--N 1.318 -0.799 0 C-N-CA 120.66 -0.416 . . . . 6.52 110.377 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.5 161.94 42.78 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.572 2.848 . . . . 3.36 111.4 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 94.36 43.39 3.74 Favored Glycine 0 N--CA 1.427 -1.926 0 C-N-CA 118.957 -1.592 . . . . 3.43 115.017 159.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' B' ' 93' ' ' LYS . 3.9 tt -87.45 -46.38 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.77 -1.937 . . . . 2.41 105.77 161.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.654 ' HA3' ' O ' ' B' ' 47' ' ' ASN . . . -124.35 -16.1 3.23 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 114.364 -1.289 . . . . 2.79 110.455 160.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.579 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 2.2 mp0 -68.4 152.13 45.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.072 -0.564 . . . . 3.68 111.697 -171.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.25 111.39 1.04 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.124 -0.79 . . . . 3.02 111.124 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 8.7 t -124.58 143.74 44.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.944 0.372 . . . . 3.92 110.15 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 122.887 2.391 . . . . 5.38 112.491 178.512 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.333 -0.247 . . . . 9.36 110.333 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 m 60.27 80.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.528 0.518 . . . . 7.37 110.821 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -56.22 -53.41 57.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 5.47 110.532 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.59 -55.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.452 -0.944 . . . . 2.88 108.452 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtm -49.88 133.97 21.56 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.448 -0.797 . . . . 3.29 110.754 170.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.59 176.48 9.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.884 -1.053 . . . . 1.65 110.704 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.26 -45.55 83.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.169 0.509 . . . . 2.51 109.953 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' A' ' 12' ' ' ILE . 24.9 tp -64.63 -44.39 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.047 -0.979 . . . . 2.42 111.118 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 55.6 mt-10 -66.31 -51.48 56.91 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.078 0.77 . . . . 2.29 113.078 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.5 -34.2 73.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.282 0.563 . . . . 4.15 109.743 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.617 ' OD1' HG13 ' B' ' 15' ' ' ILE . 12.5 t-20 -64.04 -50.15 69.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.161 -0.927 . . . . 2.22 110.194 177.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 8' ' ' LEU . 82.3 mt -59.94 -40.39 82.83 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.079 -0.509 . . . . 1.05 110.325 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -60.38 -35.34 75.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 1.95 110.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.3 m -62.67 -45.87 90.8 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.127 0.489 . . . . 0.96 110.355 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.613 HG13 ' OD1' ' B' ' 11' ' ' ASN . 31.1 mt -63.01 -48.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 1.12 111.01 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.26 -42.77 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.763 -0.653 . . . . 1.16 110.702 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.12 -45.32 92.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.665 -0.698 . . . . 2.45 110.924 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.62 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.5 m -62.15 -50.37 72.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 1.42 111.106 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 9.9 m-30 -57.65 -41.81 82.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.083 0.468 . . . . 4.47 110.254 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.632 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 16.6 m80 -70.82 -37.76 73.23 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.653 -0.703 . . . . 3.54 112.786 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 18' ' ' THR . 28.3 pt20 -64.24 -33.38 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.493 -0.483 . . . . 1.64 110.624 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.501 ' HD1' ' O ' ' A' ' 18' ' ' THR . 76.3 m-85 -79.18 -34.22 43.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.963 -0.295 . . . . 2.26 111.433 175.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.632 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 4.0 p -78.14 -33.91 50.16 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.378 0.609 . . . . 1.35 111.443 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.69 -5.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 1.26 110.348 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 97.7 mttt -62.47 -24.36 67.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.995 -0.548 . . . . 2.74 110.677 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.49 8.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 2.65 110.469 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.6 -28.01 8.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.776 -0.726 . . . . 1.43 113.65 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.536 ' H ' ' CD ' ' A' ' 29' ' ' PRO . 74.4 t60 176.98 -30.44 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.124 0.787 . . . . 4.53 113.124 -171.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' CD ' ' H ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -52.46 155.24 10.17 Favored 'Trans proline' 0 CA--C 1.446 -3.889 0 C-N-CA 124.211 3.274 . . . . 3.25 116.857 -169.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 13.34 24.02 Favored 'General case' 0 C--N 1.247 -3.857 0 O-C-N 120.31 -1.494 . . . . 2.56 109.887 -173.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.554 ' HB ' ' HB3' ' A' ' 73' ' ' GLN . 42.2 p -126.51 139.82 52.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.956 -1.02 . . . . 1.92 111.511 -163.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.531 ' O ' ' HE3' ' A' ' 63' ' ' MET . 89.9 mt -90.65 120.04 31.39 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.137 -0.938 . . . . 1.23 109.052 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' HG2' ' A' ' 73' ' ' GLN . 26.0 t-20 -81.72 174.99 10.83 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.5 -0.926 . . . . 2.75 108.5 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -48.92 -44.51 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.973 0.509 . . . . 2.11 112.054 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -43.82 72.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.936 -0.649 . . . . 0.46 112.648 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 21.8 mm-40 -69.96 -36.1 74.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.605 0.24 . . . . 2.0 111.289 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CD2' HD12 ' A' ' 74' ' ' LEU . 88.2 t80 -60.11 -52.48 65.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.948 0.404 . . . . 2.37 110.296 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 26.4 mtpp -55.9 -39.29 71.38 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.46 -0.791 . . . . 1.95 110.288 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 tp10 -65.1 -45.82 83.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.766 0.666 . . . . 1.74 110.868 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.93 -54.05 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.707 -0.479 . . . . 2.07 109.707 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.594 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 96.9 t -57.22 -36.28 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 1.18 110.744 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 41.6 ttm180 -67.64 -33.54 75.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.262 -0.881 . . . . 3.84 112.686 -170.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 17.1 ptpt -128.67 -15.82 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.606 0.965 . . . . 2.86 113.606 -172.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 3.2 m-20 -108.23 -32.56 7.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.347 -0.541 . . . . 1.88 111.875 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 89.6 mt -101.98 5.63 40.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.239 0.616 . . . . 1.29 110.895 174.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -50.4 -22.11 1.72 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.758 1.021 . . . . 2.21 113.758 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 111' ' ' GLU . 1.6 t-20 -103.93 -49.05 3.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.033 0.444 . . . . 2.9 110.017 -175.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.545 ' O ' HD11 ' A' ' 109' ' ' LEU . 3.3 m-30 -65.03 -36.35 84.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.642 0.734 . . . . 2.75 109.592 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 mt -110.06 24.96 12.33 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.435 -0.802 . . . . 1.36 110.323 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.73 -43.21 17.79 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.186 0.439 . . . . 2.82 112.186 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -63.64 -38.28 90.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.387 0.613 . . . . 2.0 110.468 -179.192 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.38 -32.92 64.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.998 -1.001 . . . . 2.13 109.997 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.36 -16.58 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 1.7 110.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.11 -15.31 51.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.425 -0.807 . . . . 3.82 110.966 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -132.35 145.18 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 1.95 110.202 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -76.11 -45.61 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 2.46 111.103 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -25.99 67.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 3.01 112.162 -169.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.32 -40.75 73.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 1.43 109.816 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.2 mt -63.77 -38.39 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.436 -0.802 . . . . 1.76 109.934 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.6 mm-40 -59.76 -38.67 82.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.829 -0.623 . . . . 1.86 110.632 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -66.17 -49.2 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 2.45 110.518 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.97 -34.36 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 1.92 110.115 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.531 ' HE3' ' O ' ' A' ' 32' ' ' LEU . 12.1 tpt -58.11 -53.46 58.03 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 114.172 -1.376 . . . . 1.27 111.974 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -105.32 -26.85 11.83 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 114.792 -2.763 . . . . 2.37 108.937 -162.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.06 -35.97 67.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.464 -0.335 . . . . 1.93 110.815 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.558 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 62.2 mt -78.57 -24.68 45.4 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.591 0.589 . . . . 1.87 112.591 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 70' ' ' ALA . 9.9 t70 -65.34 76.99 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.507 1.146 . . . . 1.39 110.231 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 m -70.5 -24.35 62.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.799 -1.546 . . . . 2.54 110.927 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.58 -1.5 57.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.172 0.511 . . . . 2.89 109.635 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . . . 53.1 36.84 23.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.469 -1.241 . . . . 1.71 111.458 173.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -116.3 7.81 14.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 1.95 110.411 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.16 29.1 14.08 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.867 0.841 . . . . 2.22 109.339 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 29.2 mt-30 -143.06 139.27 30.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.16 -1.382 . . . . 2.32 108.973 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' THR . 45.8 mt -106.86 115.69 30.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.063 0.458 . . . . 1.34 111.05 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 31' ' ' THR . 94.6 p -79.55 172.01 14.37 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.28 -0.873 . . . . 1.78 110.245 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.669 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 7.0 p90 -51.89 -40.75 61.18 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.494 -0.321 . . . . 3.75 111.237 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 28.1 mm-40 -65.17 -45.58 84.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.992 0.425 . . . . 2.03 111.706 -178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.38 -44.48 51.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.453 0.644 . . . . 3.18 110.724 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 31.0 t80 -71.98 -29.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 3.91 110.827 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.669 ' HB ' ' O ' ' A' ' 76' ' ' PHE . 2.5 tp -66.15 -38.19 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.263 -0.643 . . . . 2.63 109.263 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.576 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 25.9 ttt -54.42 -36.68 64.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.974 -0.557 . . . . 2.19 110.482 172.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 38.3 tp -60.54 -42.22 96.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.934 0.397 . . . . 1.99 110.243 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 83' ' ' MET . 25.6 mmt -61.51 -27.57 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.682 -0.69 . . . . 1.59 110.169 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . . . -78.18 -42.55 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 1.16 110.671 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 81' ' ' MET . 33.8 mtp180 -59.32 -36.53 75.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.629 0.728 . . . . 2.07 109.227 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.97 -33.45 61.9 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.05 -0.977 . . . . 2.16 109.984 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 m -65.19 -37.54 87.64 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.371 0.605 . . . . 1.2 109.854 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.669 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.1 t90 -65.45 -39.06 91.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.436 -0.802 . . . . 4.33 109.496 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.86 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.96 0.41 . . . . 1.84 110.851 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m -68.01 -37.85 81.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.078 -0.51 . . . . 2.14 110.819 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 95' ' ' HIS . 14.0 t-160 -81.18 -16.9 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.094 -0.642 . . . . 3.9 109.813 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 52.5 mm-40 -67.74 -32.27 72.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 3.3 110.699 175.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 1.8 tpmt? -100.33 -23.26 14.82 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 119.966 -0.694 . . . . 6.1 111.118 175.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 86.0 mtp -97.49 12.51 33.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.916 0.339 . . . . 6.04 111.916 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 91' ' ' HIS . 3.3 p80 -65.8 100.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.308 1.052 . . . . 5.89 110.91 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER -57.05 161.08 3.24 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 113.776 -1.556 . . . . 5.97 107.895 164.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.64 -57.92 15.51 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.482 -1.818 . . . . 7.17 111.198 -165.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.67 -39.75 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.426 1.113 . . . . 9.86 112.191 147.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -119.55 -8.53 9.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.46 -0.791 . . . . 8.93 110.033 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 96' ' ' GLU . . . -169.04 142.65 7.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.096 -1.05 . . . . 6.76 112.612 -171.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.414 ' HD3' ' HA2' ' A' ' 100' ' ' GLY . 11.0 Cg_exo -72.34 137.07 27.66 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.425 2.083 . . . . 7.95 112.514 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.72 -15.79 10.69 Favored Glycine 0 CA--C 1.506 -0.482 0 N-CA-C 109.465 -1.454 . . . . 10.53 109.465 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -139.79 141.93 36.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 105.443 -2.058 . . . . 13.58 105.443 174.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -93.81 135.36 35.21 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.72 0.772 . . . . 8.85 111.656 -164.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 84.6 m-70 -112.59 163.75 14.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.43 -1.259 . . . . 8.81 111.249 -170.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -68.16 126.55 92.79 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.86 -0.609 . . . . 6.51 112.08 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 83.7 Cg_exo -51.65 138.61 49.28 Favored 'Trans proline' 0 C--O 1.209 -0.962 0 C-N-CA 124.259 3.306 . . . . 3.35 115.872 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 49.4 -41.87 0.01 OUTLIER Glycine 0 C--N 1.307 -1.079 0 C-N-CA 128.574 2.987 . . . . 3.44 120.011 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 48' ' ' PHE . 1.4 tt -144.84 -52.4 0.29 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 120.742 2.271 . . . . 2.4 108.047 148.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.34 0.35 3.89 Favored Glycine 0 N--CA 1.46 0.242 0 CA-C-N 111.762 -2.472 . . . . 2.79 111.65 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -61.84 150.9 35.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 113.672 -1.264 . . . . 3.67 113.054 -159.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.93 110.98 2.64 Favored Glycine 0 N--CA 1.439 -1.153 0 C-N-CA 120.457 -0.877 . . . . 3.01 111.003 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.1 m -98.87 113.77 64.82 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 110.288 -0.264 . . . . 3.92 110.288 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.251 1.14 0 C-N-CA 122.982 2.454 . . . . 5.37 112.227 179.012 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.6 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.347 -0.242 . . . . 9.37 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m 59.94 81.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.045 0.45 . . . . 7.37 111.022 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -57.13 -52.48 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 5.48 110.345 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.88 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.149 -0.932 . . . . 2.87 108.574 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.6 mtm -49.79 133.92 21.2 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.52 -0.764 . . . . 3.29 110.735 170.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 176.49 9.38 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.904 -1.044 . . . . 1.66 110.687 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -57.43 -45.64 84.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.256 0.551 . . . . 2.52 109.894 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 12' ' ' ILE . 24.8 tp -64.38 -44.47 91.26 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.079 -0.964 . . . . 2.42 111.166 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 55.9 mt-10 -66.29 -51.36 58.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.035 0.754 . . . . 2.28 113.035 -172.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -60.44 -34.48 74.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.205 0.526 . . . . 4.16 109.731 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.613 ' OD1' HG13 ' A' ' 15' ' ' ILE . 12.3 t-20 -63.88 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.067 -0.969 . . . . 2.21 110.186 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 8' ' ' LEU . 81.9 mt -59.8 -40.5 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.955 -0.566 . . . . 1.06 110.33 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.43 -35.41 75.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.292 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -62.57 -46.14 89.7 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.008 0.432 . . . . 0.96 110.252 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.617 HG13 ' OD1' ' A' ' 11' ' ' ASN . 31.3 mt -62.55 -48.5 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.905 -0.589 . . . . 1.13 111.046 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.25 -42.52 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 1.16 110.743 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -63.32 -45.54 90.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 2.45 110.885 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.62 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 m -61.89 -50.66 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 1.41 111.166 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.424 ' CZ ' HG23 ' B' ' 15' ' ' ILE . 9.9 m-30 -57.19 -42.31 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 4.47 110.231 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.613 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 16.1 m80 -70.29 -37.92 74.91 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.674 -0.694 . . . . 3.55 112.764 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' B' ' 18' ' ' THR . 28.4 pt20 -64.24 -33.31 75.53 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.589 -0.444 . . . . 1.64 110.577 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.507 ' HD1' ' O ' ' B' ' 18' ' ' THR . 77.3 m-85 -79.23 -34.12 43.03 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.5 -0.318 . . . . 2.25 111.468 175.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.613 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 3.9 p -78.61 -33.64 47.3 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.309 0.576 . . . . 1.35 111.318 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.24 -5.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.704 -0.68 . . . . 1.26 110.2 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 97.3 mttt -62.56 -24.13 67.36 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.03 -0.532 . . . . 2.74 110.612 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.42 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 2.65 110.316 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.66 -29.22 7.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.976 -0.631 . . . . 1.43 113.368 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.556 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 73.5 t60 179.59 -33.69 0.0 OUTLIER Pre-proline 0 CA--C 1.575 1.942 0 N-CA-C 113.524 0.935 . . . . 4.53 113.524 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' B' ' 28' ' ' HIS . 3.9 Cg_exo -45.27 155.3 0.4 Allowed 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 125.236 3.957 . . . . 3.25 115.83 -172.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.43 11.31 28.85 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.742 -1.117 . . . . 2.56 110.193 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.535 HG23 ' CA ' ' B' ' 75' ' ' SER . 46.6 p -126.84 142.13 51.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.968 -1.015 . . . . 1.92 111.778 -163.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.558 ' O ' ' HE3' ' B' ' 63' ' ' MET . 86.3 mt -92.2 119.83 32.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.121 -0.945 . . . . 1.23 109.156 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' HG2' ' B' ' 73' ' ' GLN . 26.2 t-20 -81.64 174.22 11.59 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.471 -0.937 . . . . 2.74 108.471 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.64 -44.09 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.842 0.457 . . . . 2.11 111.873 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 -43.29 69.39 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.336 -0.935 . . . . 0.46 112.446 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.416 ' OE1' ' HD2' ' B' ' 25' ' ' LYS . 20.6 mm-40 -70.13 -36.22 74.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.656 0.265 . . . . 2.01 111.185 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.456 ' CD2' HD12 ' B' ' 74' ' ' LEU . 88.1 t80 -59.88 -52.62 64.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 2.37 110.343 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 26.4 mtpp -55.85 -39.15 71.05 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.395 -0.821 . . . . 1.95 110.369 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 5.6 tp10 -65.18 -45.9 83.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.756 0.66 . . . . 1.75 110.754 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.99 -53.89 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 2.07 109.722 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.583 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 97.0 t -57.27 -36.35 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.472 0.653 . . . . 1.18 110.767 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.603 ' HB2' ' O ' ' B' ' 38' ' ' LYS . 41.6 ttm180 -67.67 -33.35 74.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.122 -0.944 . . . . 3.84 112.723 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 17.1 ptpt -128.79 -15.74 4.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.589 0.959 . . . . 2.86 113.589 -172.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 3.3 m-20 -108.44 -32.43 7.43 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.32 -0.552 . . . . 1.87 111.95 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 89.6 mt -101.96 5.75 40.93 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.252 0.621 . . . . 1.29 110.864 174.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' B' ' 50' ' ' LYS . 12.4 pt20 -50.54 -22.25 1.89 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.644 0.979 . . . . 2.21 113.644 -174.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' HG3' ' B' ' 111' ' ' GLU . 1.5 t-20 -103.77 -49.06 3.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.948 0.404 . . . . 2.9 109.964 -175.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.551 ' O ' HD11 ' B' ' 109' ' ' LEU . 3.3 m-30 -65.01 -36.19 83.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.63 0.729 . . . . 2.75 109.637 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.23 25.03 12.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.416 -0.811 . . . . 1.36 110.267 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 17.0 ptpt -46.76 -43.36 18.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.212 0.449 . . . . 2.81 112.212 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.518 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -63.27 -38.33 90.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.501 0.667 . . . . 2.0 110.573 -179.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.42 -33.01 64.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.983 -1.008 . . . . 2.13 109.95 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.36 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.715 0.769 . . . . 1.7 110.072 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -82.96 -15.67 50.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.447 -0.797 . . . . 3.82 110.928 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -132.08 145.07 51.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 1.95 110.184 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 42.2 mt-10 -75.97 -45.63 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.088 0.47 . . . . 2.46 111.123 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -26.05 67.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.448 -0.796 . . . . 3.01 112.138 -169.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.32 -40.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.733 -0.469 . . . . 1.42 109.733 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 30.3 mt -63.74 -38.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.425 -0.807 . . . . 1.76 109.955 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 25.9 mm-40 -59.55 -38.72 81.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.658 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -66.16 -49.23 68.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 2.45 110.556 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.83 -34.47 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.426 0.631 . . . . 1.92 110.135 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.558 ' HE3' ' O ' ' B' ' 32' ' ' LEU . 12.0 tpt -58.11 -53.46 58.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.233 -1.349 . . . . 1.26 111.957 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -105.24 -26.9 11.85 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 114.779 -2.769 . . . . 2.36 108.864 -162.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.0 -35.84 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.002 -0.279 . . . . 1.93 110.911 169.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 61.6 mt -78.64 -24.91 44.99 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.564 0.579 . . . . 1.87 112.564 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.42 ' OD1' ' HA ' ' B' ' 70' ' ' ALA . 9.7 t70 -65.13 76.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.503 1.144 . . . . 1.4 110.344 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -70.25 -24.61 63.1 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.845 -1.525 . . . . 2.54 110.847 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.33 -1.58 57.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.233 0.54 . . . . 2.89 109.633 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.42 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . . . 53.32 36.58 23.22 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 114.55 -1.205 . . . . 1.71 111.468 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.22 8.12 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.729 -0.669 . . . . 1.95 110.392 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.9 29.31 14.56 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.773 0.797 . . . . 2.22 109.399 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' B' ' 31' ' ' THR . 29.3 mt-30 -143.25 139.14 30.07 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.252 -1.34 . . . . 2.32 108.983 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 31' ' ' THR . 45.2 mt -107.03 115.28 29.91 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.146 0.498 . . . . 1.34 110.988 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' SER . . . . . 0.535 ' CA ' HG23 ' B' ' 31' ' ' THR . 95.0 p -79.09 172.22 14.11 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.279 -0.873 . . . . 1.78 110.215 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.661 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 6.8 p90 -52.23 -40.61 61.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.617 -0.265 . . . . 3.75 111.187 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' B' ' 76' ' ' PHE . 28.6 mm-40 -65.13 -45.6 84.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 2.04 111.768 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.37 -44.57 51.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.297 0.57 . . . . 3.18 110.672 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 30.7 t80 -71.86 -30.0 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.312 -0.404 . . . . 3.91 110.802 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.661 ' HB ' ' O ' ' B' ' 76' ' ' PHE . 2.4 tp -66.13 -38.02 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.369 -0.604 . . . . 2.62 109.369 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 25.8 ttt -54.76 -36.32 64.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.436 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' B' ' 66' ' ' LEU . 37.8 tp -60.76 -42.18 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 1.99 110.217 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.492 ' HA ' ' HE1' ' B' ' 83' ' ' MET . 25.5 mmt -61.74 -27.39 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 1.59 110.089 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.506 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . . . -78.27 -42.57 30.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 1.15 110.695 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' B' ' 81' ' ' MET . 33.4 mtp180 -59.3 -36.6 75.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.603 0.716 . . . . 2.07 109.227 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.84 -33.26 62.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.913 -1.04 . . . . 2.16 110.135 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -65.3 -37.51 87.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.276 0.56 . . . . 1.2 109.745 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.661 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t90 -65.49 -39.14 91.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.551 -0.75 . . . . 4.33 109.545 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.16 80.2 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.25 -0.432 . . . . 1.84 110.869 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.1 m -67.99 -37.99 82.14 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.105 -0.498 . . . . 2.13 110.742 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' B' ' 95' ' ' HIS . 14.0 t-160 -80.86 -17.32 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.183 -0.607 . . . . 3.9 109.758 178.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 48.3 mm-40 -67.29 -32.81 74.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.606 -0.27 . . . . 3.29 110.713 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -100.0 -23.44 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.886 -0.726 . . . . 6.1 111.012 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 85.8 mtp -97.2 12.23 33.58 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 122.192 -0.317 . . . . 6.04 111.802 -177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 91' ' ' HIS . 3.5 p80 -65.56 100.86 0.54 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.3 1.047 . . . . 5.89 110.817 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.516 ' HB2' ' CA ' ' B' ' 100' ' ' GLY . 0.3 OUTLIER -57.41 161.23 3.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.688 -1.596 . . . . 5.97 107.832 164.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.41 -58.21 14.41 Favored Glycine 0 CA--C 1.505 -0.538 0 C-N-CA 118.308 -1.901 . . . . 7.19 111.128 -165.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -127.53 -39.86 1.81 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 118.284 1.042 . . . . 9.86 112.268 147.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -119.61 -8.71 9.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.775 . . . . 8.93 110.017 -177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . 0.516 ' CA ' ' HB2' ' B' ' 96' ' ' GLU . . . -169.01 142.6 7.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.012 -1.09 . . . . 6.77 112.476 -171.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.417 ' HD3' ' HA2' ' B' ' 100' ' ' GLY . 11.0 Cg_exo -72.1 137.12 28.37 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.546 2.164 . . . . 7.97 112.519 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.73 -16.11 10.36 Favored Glycine 0 CA--C 1.507 -0.467 0 N-CA-C 109.482 -1.447 . . . . 10.54 109.482 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -139.59 141.82 37.14 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 105.243 -2.132 . . . . 13.58 105.243 174.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -93.74 135.51 34.96 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.516 0.674 . . . . 8.86 111.508 -164.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -112.79 163.62 14.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.325 -1.307 . . . . 8.81 111.242 -170.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -68.09 126.5 92.73 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.804 -0.635 . . . . 6.52 112.151 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.513 ' HD2' ' O ' ' B' ' 111' ' ' GLU . 83.3 Cg_exo -51.66 138.58 49.34 Favored 'Trans proline' 0 C--O 1.21 -0.915 0 C-N-CA 124.344 3.363 . . . . 3.36 115.902 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 49.57 -41.92 0.01 OUTLIER Glycine 0 C--N 1.308 -0.982 0 C-N-CA 128.506 2.955 . . . . 3.43 120.012 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . 0.551 HD11 ' O ' ' B' ' 48' ' ' PHE . 1.4 tt -144.88 -52.47 0.29 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 120.744 2.272 . . . . 2.41 108.134 148.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.27 0.2 3.89 Favored Glycine 0 N--CA 1.461 0.335 0 CA-C-N 111.663 -2.517 . . . . 2.79 111.614 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.513 ' O ' ' HD2' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -61.61 151.05 34.46 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.646 -1.277 . . . . 3.68 113.042 -159.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.18 110.93 2.6 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.353 -0.927 . . . . 3.02 110.938 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 26.2 m -98.78 113.91 64.9 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 110.118 -0.327 . . . . 3.92 110.118 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 122.892 2.395 . . . . 5.38 111.871 179.082 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.864 0.364 . . . . 9.36 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 t -136.46 97.23 3.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.539 0.685 . . . . 7.37 110.062 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -140.56 114.23 8.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.637 -0.71 . . . . 5.47 110.015 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -77.99 -65.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.303 -0.408 . . . . 2.88 110.238 178.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.585 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 3.6 mpp? -54.1 145.73 16.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.547 0.689 . . . . 3.29 110.587 172.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.564 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 52.1 m -110.17 179.8 4.0 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.669 -1.15 . . . . 1.65 109.016 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.96 -39.27 85.03 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.915 0.388 . . . . 2.51 111.794 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -71.0 -49.66 42.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.687 0.625 . . . . 2.42 112.687 -164.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.564 ' OE1' ' HB2' ' A' ' 6' ' ' SER . 0.3 OUTLIER -70.01 -39.62 75.74 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.98 0.355 . . . . 2.29 111.797 -173.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -60.06 -34.71 73.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.109 0.48 . . . . 4.15 110.328 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.99 -37.47 81.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.22 110.521 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.9 mt -63.08 -48.57 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.331 -0.395 . . . . 1.05 110.676 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.99 -36.6 79.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.464 -0.334 . . . . 1.95 110.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -61.79 -41.15 97.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.361 0.6 . . . . 0.96 110.257 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.489 HD13 HD13 ' B' ' 15' ' ' ILE . 28.6 mt -66.56 -48.25 80.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 1.12 110.774 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.94 -41.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 1.16 110.857 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.267 -0.424 . . . . 2.45 111.758 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.738 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.5 m -68.35 -50.51 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.775 -0.454 . . . . 1.42 109.775 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -55.88 -39.83 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.619 -0.512 . . . . 4.47 109.619 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 59.3 t-80 -57.19 -44.97 84.12 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.209 -0.905 . . . . 3.54 112.272 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.738 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.7 pt20 -67.29 -33.5 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.166 0.439 . . . . 1.64 111.125 -176.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 97.6 m-85 -76.18 -36.56 58.64 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.224 -0.59 . . . . 2.26 110.02 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.672 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 17.7 p -77.9 -32.94 52.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.235 0.54 . . . . 1.35 111.413 -176.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.6 p -70.58 -3.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 1.26 111.419 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' ' CG ' ' A' ' 36' ' ' GLU . 67.8 mttm -64.02 -26.15 68.44 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.118 -0.492 . . . . 2.74 109.772 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' ND2' ' A' ' 33' ' ' ASN . 6.7 mp -90.39 12.8 17.31 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.14 -0.482 . . . . 2.65 112.057 175.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.03 -116.12 5.06 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 120.719 -0.753 . . . . 1.43 111.464 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -62.48 106.94 0.96 Allowed Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 106.841 -1.54 . . . . 4.53 106.841 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.672 ' O ' ' HB2' ' A' ' 23' ' ' SER . 49.8 Cg_endo -76.08 44.14 1.27 Allowed 'Trans proline' 0 CA--C 1.516 -0.396 0 CA-C-O 116.917 -1.368 . . . . 3.25 115.499 -153.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.62 1.81 6.11 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 123.269 2.759 . . . . 2.56 113.631 -150.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.593 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 1.7 t -157.31 159.4 37.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.02 0.528 . . . . 1.92 111.74 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 mt -99.16 119.95 38.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.884 -1.154 . . . . 1.23 107.884 159.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' ND2' HD11 ' A' ' 26' ' ' LEU . 9.4 p30 -81.07 174.0 12.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.547 -0.861 . . . . 2.75 110.065 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.898 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 7.6 tt0 -49.75 -43.88 48.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.623 0.577 . . . . 2.11 111.976 -175.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.81 47.0 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.434 -0.889 . . . . 0.46 111.698 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.55 -37.58 77.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.425 . . . . 2.0 111.178 -178.482 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.86 -52.35 57.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 2.37 110.558 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.8 mtpp -56.84 -45.14 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.115 -0.493 . . . . 1.95 110.852 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 33.0 tt0 -62.77 -45.37 92.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.716 0.294 . . . . 1.74 110.87 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.48 -49.47 77.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.55 -0.537 . . . . 2.07 109.55 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.0 t -59.93 -37.34 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.635 -0.711 . . . . 1.18 110.833 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.636 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 77.7 mtp180 -70.59 -29.4 65.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.392 0.516 . . . . 3.84 112.392 -175.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 36.6 mtmt -104.29 -56.52 2.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.64 0.607 . . . . 2.86 112.64 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.94 -42.49 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.492 -0.483 . . . . 1.88 111.037 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 77.8 mt -94.44 2.71 55.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.274 -0.421 . . . . 1.29 111.416 -175.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.054 0.542 . . . . 2.21 112.005 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.591 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 19.4 p-10 -97.42 -46.58 6.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.664 -0.698 . . . . 2.9 111.35 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' B' ' 9' ' ' GLU . 2.7 m-85 -72.09 -34.28 68.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.343 0.592 . . . . 2.75 110.596 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -104.21 24.02 12.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.803 -0.814 . . . . 1.36 108.803 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.4 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.283 0.845 . . . . 2.82 113.283 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -57.76 -37.51 73.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.446 0.641 . . . . 2.0 110.653 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.8 tt0 -74.55 -33.88 62.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.171 -0.922 . . . . 2.13 110.942 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.8 -18.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.7 110.943 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -4.55 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.102 -0.499 . . . . 3.82 110.991 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.49 145.72 51.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.842 -0.429 . . . . 1.95 109.842 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.8 mp0 -85.89 -43.62 13.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.46 110.503 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -58.7 -28.61 65.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 3.01 111.913 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 3.9 t -71.43 -38.3 68.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 1.43 109.992 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 mt -70.93 -35.08 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 1.76 109.776 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 21.0 mm-40 -57.44 -35.71 70.45 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.305 0.574 . . . . 1.86 109.796 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -63.87 -48.84 75.09 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.399 -0.819 . . . . 2.45 110.199 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 82' ' ' LEU . 31.0 mt -62.87 -34.86 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.714 0.768 . . . . 1.92 109.827 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.898 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.1 tpt -57.98 -37.86 75.01 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.425 -1.716 . . . . 1.27 111.86 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.7 tt0 -120.86 -30.52 4.4 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 115.561 -2.456 . . . . 2.37 111.364 -177.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.61 -34.88 67.65 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.622 -0.431 . . . . 1.93 110.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 22.7 mt -81.56 -29.49 33.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.787 -0.365 . . . . 1.87 111.404 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 63.3 t0 -70.59 89.43 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.771 0.796 . . . . 1.39 111.061 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.0 m -60.43 -22.55 63.54 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.537 -1.21 . . . . 2.54 111.431 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.55 -6.31 49.89 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.587 -0.445 . . . . 2.89 110.681 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.19 33.9 10.33 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.244 -0.889 . . . . 1.71 113.037 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -117.13 18.44 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.746 -0.207 . . . . 1.95 110.769 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 65.05 38.55 6.12 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.934 0.771 . . . . 2.22 109.441 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.593 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 27.2 mt-30 -142.71 141.44 31.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.055 -0.975 . . . . 2.32 110.466 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' N ' ' HG1' ' A' ' 31' ' ' THR . 62.2 mt -114.91 114.5 25.56 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.446 -0.502 . . . . 1.34 110.5 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 m -77.02 166.3 23.49 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.959 -0.756 . . . . 1.78 108.959 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.688 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 22.7 p90 -52.32 -40.63 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.909 0.707 . . . . 3.75 112.909 -175.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 80' ' ' ILE . 35.3 mt-10 -69.8 -29.27 66.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 2.03 111.452 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.66 -48.81 17.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.149 0.499 . . . . 3.18 109.752 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 2.1 p90 -73.38 -25.41 60.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.186 -0.605 . . . . 3.91 111.135 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.512 ' CG2' ' HB3' ' B' ' 84' ' ' ALA . 3.5 tp -65.07 -40.94 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.059 -0.656 . . . . 2.63 109.67 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.633 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 85.4 mmm -53.26 -37.21 61.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.711 -0.222 . . . . 2.19 111.075 170.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 53.6 tp -58.45 -40.31 82.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.909 0.385 . . . . 1.99 110.203 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.452 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 26.5 mmt -63.87 -26.84 68.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.955 -0.566 . . . . 1.59 110.01 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.507 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . . . -79.57 -36.85 37.62 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.929 0.395 . . . . 1.16 110.327 175.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -64.67 -36.28 83.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.527 0.68 . . . . 2.07 109.368 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.0 tp -77.19 -28.32 53.89 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.439 -0.801 . . . . 2.16 109.612 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.8 m -65.82 -32.13 73.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.573 -0.529 . . . . 1.2 109.573 171.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.506 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.7 t90 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.518 -0.549 . . . . 4.33 109.518 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.12 -32.73 74.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 1.84 110.421 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.95 -36.18 75.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.675 . . . . 2.14 109.683 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.571 ' O ' ' HG2' ' A' ' 94' ' ' MET . 53.5 t-80 -64.55 -39.03 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.335 -0.848 . . . . 3.9 110.878 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.0 pt-20 -80.39 -35.56 35.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.42 -0.355 . . . . 3.3 111.463 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -82.52 -8.09 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 6.1 111.414 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 91' ' ' HIS . 25.6 ptt? -83.32 9.56 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.446 0.536 . . . . 6.04 112.446 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -71.77 77.08 0.86 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.194 0.997 . . . . 5.89 111.515 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.484 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 10.6 tp10 -60.96 164.44 4.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.974 -1.012 . . . . 5.97 108.307 167.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -45.06 -46.62 9.84 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-O 118.554 -1.137 . . . . 7.17 113.644 -157.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.81 -42.5 2.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 120.348 2.074 . . . . 9.86 116.556 166.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.43 -38.67 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.155 -1.018 . . . . 8.93 112.911 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.484 ' CA ' ' HB3' ' A' ' 96' ' ' GLU . . . 165.45 166.51 24.56 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.379 -0.915 . . . . 6.76 111.826 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.34 154.78 51.26 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.877 2.385 . . . . 7.95 112.559 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.49 -11.29 78.01 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.73 -0.948 . . . . 10.53 110.73 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -140.27 129.43 23.67 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 104.783 -2.303 . . . . 13.58 104.783 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -94.93 90.94 6.17 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 118.291 -1.363 . . . . 8.85 113.197 -161.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -150.53 127.59 11.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.128 -1.851 . . . . 8.81 107.153 162.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -118.45 123.38 29.31 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.55 -0.537 . . . . 6.51 109.55 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.565 ' HA ' ' OE2' ' A' ' 111' ' ' GLU . 23.5 Cg_endo -73.76 157.65 47.72 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.047 1.831 . . . . 3.35 110.346 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.74 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 90.14 33.65 8.71 Favored Glycine 0 N--CA 1.428 -1.89 0 C-N-CA 118.174 -1.965 . . . . 3.44 115.466 159.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -88.88 -42.34 11.91 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.043 -1.465 . . . . 2.4 107.043 167.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 47' ' ' ASN . . . -122.31 6.1 10.06 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.569 -1.013 . . . . 2.79 110.569 166.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.74 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 5.4 mt-10 -110.06 156.59 20.33 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.436 -0.882 . . . . 3.67 110.454 -168.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.38 108.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.253 -1.451 . . . . 3.01 112.326 169.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 11.1 t -152.56 136.16 9.87 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 110.163 -0.31 . . . . 3.92 110.163 171.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 113' ' ' THR . 7.9 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 122.624 2.216 . . . . 5.37 111.862 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.787 0.327 . . . . 9.37 110.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -136.4 97.3 3.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.7 . . . . 7.37 109.975 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -140.81 113.59 8.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 5.48 110.147 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 0.5 OUTLIER -77.44 -65.69 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 2.87 110.187 178.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' MET . . . . . 0.591 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 3.6 mpp? -53.9 146.41 14.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.619 0.724 . . . . 3.29 110.486 172.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.543 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 55.7 m -110.85 179.74 3.97 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.713 -1.131 . . . . 1.66 109.144 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.89 -39.33 84.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.938 0.399 . . . . 2.52 111.639 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.606 ' O ' HG13 ' B' ' 12' ' ' ILE . 0.8 OUTLIER -71.12 -49.61 42.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.665 0.617 . . . . 2.42 112.665 -164.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.543 ' OE1' ' HB2' ' B' ' 6' ' ' SER . 0.3 OUTLIER -70.03 -39.55 75.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.99 0.359 . . . . 2.28 111.875 -172.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -60.06 -34.78 73.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 4.16 110.343 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -67.95 -37.47 81.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 2.21 110.595 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.606 HG13 ' O ' ' B' ' 8' ' ' LEU . 69.3 mt -63.08 -48.56 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.333 -0.394 . . . . 1.06 110.776 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.71 -36.72 79.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 1.95 111.018 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.6 m -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.96 110.284 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.489 HD13 HD13 ' A' ' 15' ' ' ILE . 28.0 mt -66.45 -48.2 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 1.13 110.817 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.13 -41.42 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.16 110.83 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -69.43 -30.87 68.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.22 -0.445 . . . . 2.45 111.863 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.744 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.0 m -68.49 -50.59 51.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.802 -0.444 . . . . 1.41 109.802 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -55.79 -39.75 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.142 0.496 . . . . 4.47 109.675 173.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' HIS . . . . . 0.447 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 59.3 t-80 -57.25 -44.85 84.26 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.249 -0.887 . . . . 3.55 112.404 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.7 pt20 -67.26 -33.72 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 118.035 0.38 . . . . 1.64 111.144 -176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.525 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 97.5 m-85 -76.01 -36.51 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.128 -0.629 . . . . 2.25 110.034 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.67 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 18.4 p -77.94 -32.83 51.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 1.35 111.51 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.56 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -70.72 -3.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 1.26 111.316 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.578 ' HD2' ' CG ' ' B' ' 36' ' ' GLU . 67.7 mttm -63.82 -26.36 68.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.095 -0.502 . . . . 2.74 109.712 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.518 HD11 ' ND2' ' B' ' 33' ' ' ASN . 6.7 mp -90.22 12.72 17.22 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.194 -0.457 . . . . 2.65 112.075 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.14 -116.1 5.07 Favored Glycine 0 C--O 1.228 -0.278 0 C-N-CA 120.724 -0.751 . . . . 1.43 111.307 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -62.63 106.91 0.97 Allowed Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 106.784 -1.562 . . . . 4.53 106.784 167.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.67 ' O ' ' HB2' ' B' ' 23' ' ' SER . 50.2 Cg_endo -76.06 44.03 1.25 Allowed 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-O 116.901 -1.375 . . . . 3.25 115.571 -153.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -71.6 1.47 6.58 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 123.3 2.773 . . . . 2.56 113.568 -150.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.59 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 1.7 t -156.97 159.34 37.96 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.175 0.59 . . . . 1.92 111.794 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -99.05 120.06 38.84 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.868 -1.16 . . . . 1.23 107.868 159.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.518 ' ND2' HD11 ' B' ' 26' ' ' LEU . 9.4 p30 -81.21 173.94 12.03 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.518 -0.873 . . . . 2.74 110.037 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.907 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 7.6 tt0 -49.61 -44.04 46.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.698 0.624 . . . . 2.11 112.003 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.91 46.54 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.457 -0.877 . . . . 0.46 111.654 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.578 ' CG ' ' HD2' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -69.28 -37.51 77.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.369 . . . . 2.01 111.212 -178.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.87 -52.36 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.377 -0.374 . . . . 2.37 110.552 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 27.8 mtpp -56.95 -45.17 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.146 -0.479 . . . . 1.95 110.911 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 33.3 tt0 -62.69 -45.27 93.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 1.75 110.944 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.49 -49.52 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.597 -0.52 . . . . 2.07 109.597 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.535 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 76.2 t -59.82 -37.36 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.601 -0.727 . . . . 1.18 110.832 177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 77.4 mtp180 -70.61 -29.4 65.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.378 0.51 . . . . 3.84 112.378 -175.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 36.6 mtmt -104.36 -56.39 2.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.692 0.627 . . . . 2.86 112.692 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.95 -42.65 17.37 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.62 -0.432 . . . . 1.87 110.957 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.535 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 78.1 mt -94.27 2.6 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.256 -0.429 . . . . 1.29 111.469 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.645 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.019 0.528 . . . . 2.21 111.918 -175.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 19.5 p-10 -97.49 -46.44 6.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.733 -0.667 . . . . 2.9 111.311 -177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 9' ' ' GLU . 2.7 m-85 -72.17 -34.51 68.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.312 0.577 . . . . 2.75 110.508 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.96 24.04 11.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.816 -0.809 . . . . 1.36 108.816 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.44 4.64 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.249 0.833 . . . . 2.81 113.249 -171.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.545 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -57.81 -37.24 73.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.363 0.601 . . . . 2.0 110.746 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.2 tt0 -74.77 -33.76 62.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.179 -0.919 . . . . 2.13 111.073 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.91 -18.0 65.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 1.7 111.023 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.11 -4.88 57.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 3.82 110.968 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.19 145.63 51.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.911 -0.403 . . . . 1.95 109.911 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 mp0 -85.9 -43.8 12.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 2.46 110.474 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -58.69 -28.25 65.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 3.01 112.037 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 3.9 t -71.68 -38.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.224 0.535 . . . . 1.42 110.071 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -71.2 -35.06 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 1.76 109.852 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 21.0 mm-40 -57.3 -35.9 70.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.238 0.542 . . . . 1.85 109.774 174.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -63.76 -48.89 75.16 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.425 -0.807 . . . . 2.45 110.185 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.4 HG23 HD13 ' B' ' 82' ' ' LEU . 30.8 mt -62.76 -34.94 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.838 0.828 . . . . 1.92 109.872 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.907 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.1 tpt -57.93 -37.55 74.31 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 113.385 -1.734 . . . . 1.26 111.912 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 27.7 tt0 -121.09 -30.55 4.33 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 115.466 -2.494 . . . . 2.36 111.298 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.79 -34.4 67.62 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.541 -0.464 . . . . 1.93 110.652 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 22.8 mt -82.01 -29.14 32.17 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.769 -0.372 . . . . 1.87 111.457 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.456 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 63.1 t0 -70.8 89.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.915 0.864 . . . . 1.4 111.037 -174.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 86.0 m -60.78 -22.55 64.21 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.317 -1.31 . . . . 2.54 111.401 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.6 -6.19 50.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 2.89 110.604 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.0 33.79 9.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.261 -0.881 . . . . 1.71 113.133 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.02 18.17 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.648 0.261 . . . . 1.95 110.605 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' B' ' 34' ' ' GLN . 0.2 OUTLIER 65.18 38.6 5.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.669 -0.696 . . . . 2.22 109.352 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.59 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 27.2 mt-30 -142.8 141.26 31.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.979 -1.01 . . . . 2.32 110.532 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.505 ' N ' ' HG1' ' B' ' 31' ' ' THR . 61.4 mt -114.64 114.59 25.88 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.9 -0.5 . . . . 1.34 110.527 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 5.7 m -77.03 166.41 23.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.007 -0.738 . . . . 1.78 109.007 175.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.698 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 22.7 p90 -52.34 -40.59 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.885 0.698 . . . . 3.75 112.885 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.418 ' O ' HG23 ' B' ' 80' ' ' ILE . 35.3 mt-10 -69.78 -29.43 66.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 2.04 111.482 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 66' ' ' LEU . 18.8 mm-40 -76.56 -48.75 18.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.22 0.533 . . . . 3.18 109.75 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.698 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 2.2 p90 -73.27 -25.38 60.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.137 -0.625 . . . . 3.91 111.181 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.507 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 3.5 tp -65.21 -40.84 90.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 2.62 109.623 176.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' MET . . . . . 0.631 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 85.6 mmm -53.23 -37.38 62.01 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.739 -0.209 . . . . 2.19 110.997 170.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.54 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 53.7 tp -58.45 -40.3 82.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.948 0.404 . . . . 1.99 110.172 175.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.457 ' HA ' ' HE3' ' B' ' 83' ' ' MET . 26.3 mmt -63.76 -26.86 68.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.015 -0.539 . . . . 1.59 110.012 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.512 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . . . -79.5 -37.03 37.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.945 0.402 . . . . 1.15 110.36 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.9 mtp180 -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.511 0.672 . . . . 2.07 109.384 176.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -77.32 -28.3 53.12 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 115.467 -0.788 . . . . 2.16 109.598 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -65.74 -32.03 73.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.599 -0.519 . . . . 1.2 109.599 171.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' TRP . . . . . 0.5 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 24.8 t90 -66.86 -36.14 81.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.459 -0.571 . . . . 4.33 109.459 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.0 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 1.84 110.386 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.72 -36.12 75.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.667 -0.697 . . . . 2.13 109.559 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' HIS . . . . . 0.577 ' O ' ' HG2' ' B' ' 94' ' ' MET . 53.3 t-80 -64.74 -38.64 91.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.392 -0.822 . . . . 3.9 110.889 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.1 pt-20 -80.82 -35.52 32.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.307 -0.406 . . . . 3.29 111.468 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -82.36 -8.28 59.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 6.1 111.338 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' B' ' 91' ' ' HIS . 25.6 ptt? -83.37 9.88 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.51 0.559 . . . . 6.04 112.51 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -72.02 76.99 0.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.169 0.985 . . . . 5.89 111.512 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.487 ' HB3' ' CA ' ' B' ' 100' ' ' GLY . 10.4 tp10 -61.28 164.32 5.55 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.968 -1.015 . . . . 5.97 108.309 167.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -44.92 -46.55 9.4 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-O 118.535 -1.147 . . . . 7.19 113.739 -157.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -119.86 -42.41 2.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 120.43 2.115 . . . . 9.86 116.628 166.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -125.51 -38.72 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.396 -0.922 . . . . 8.93 112.909 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . 0.487 ' CA ' ' HB3' ' B' ' 96' ' ' GLU . . . 165.53 166.67 24.91 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.227 -0.987 . . . . 6.77 111.864 -170.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.404 ' HB2' ' O ' ' B' ' 103' ' ' HIS . 7.4 Cg_exo -73.33 154.83 51.35 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.759 2.306 . . . . 7.97 112.632 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.64 -11.08 78.13 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 110.758 -0.937 . . . . 10.54 110.758 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' B' ' 101' ' ' PRO . 49.3 t-80 -140.13 129.38 23.81 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 104.787 -2.301 . . . . 13.58 104.787 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -94.91 91.03 6.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 118.192 -1.403 . . . . 8.86 113.138 -161.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -150.46 127.64 11.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 113.227 -1.806 . . . . 8.81 107.293 161.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -118.25 123.38 29.44 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 109.667 -0.494 . . . . 6.52 109.667 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.571 ' HA ' ' OE2' ' B' ' 111' ' ' GLU . 23.3 Cg_endo -73.64 157.72 48.12 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.022 1.814 . . . . 3.36 110.379 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . 0.732 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 90.04 33.53 8.85 Favored Glycine 0 N--CA 1.428 -1.855 0 C-N-CA 118.227 -1.939 . . . . 3.43 115.436 158.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -88.53 -42.5 12.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.051 -1.463 . . . . 2.41 107.051 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 47' ' ' ASN . . . -122.19 6.18 10.15 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.557 -1.017 . . . . 2.79 110.557 166.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.732 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 5.4 mt-10 -109.99 156.82 19.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.499 -0.85 . . . . 3.68 110.472 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.55 108.46 0.87 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.151 -1.5 . . . . 3.02 112.339 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . 11.0 t -152.55 136.32 10.0 Favored Pre-proline 0 CA--C 1.534 0.349 0 N-CA-C 109.986 -0.376 . . . . 3.92 109.986 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 113' ' ' THR . 9.0 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.588 2.192 . . . . 5.38 112.092 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.57 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 40.7 mtp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 112.533 0.568 . . . . 2.68 112.533 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -119.21 175.94 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 1.22 109.879 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -64.5 -48.01 76.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.926 0.394 . . . . 2.47 110.769 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.746 HD21 ' HB ' ' B' ' 18' ' ' THR . 34.0 mt -69.31 -41.37 76.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.038 -0.528 . . . . 1.81 111.365 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.535 ' OE1' ' HG2' ' A' ' 5' ' ' MET . 2.8 tm-20 -63.51 -50.01 71.29 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.182 0.301 . . . . 2.29 110.763 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtm180 -55.95 -42.64 76.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.199 0.523 . . . . 3.54 110.514 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.482 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.0 m-80 -62.04 -39.39 92.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.46 -0.791 . . . . 1.71 111.525 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 8' ' ' LEU . 66.8 mt -67.88 -46.96 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.949 -0.389 . . . . 0.32 109.949 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.34 -44.11 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.95 110.147 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.406 ' HB ' ' OD1' ' B' ' 11' ' ' ASN . 47.1 m -59.06 -41.12 87.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.451 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.741 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 20.2 mt -65.56 -49.59 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.742 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 90' ' ' SER . 96.8 mt -54.41 -52.82 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.53 -0.759 . . . . 0.42 111.626 -178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -70.53 -32.87 70.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.323 -0.551 . . . . 1.76 112.207 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.771 ' HB ' HD21 ' B' ' 8' ' ' LEU . 8.8 m -75.85 -47.59 24.95 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.281 -0.568 . . . . 0.8 110.391 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -53.48 -41.05 65.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.317 -0.623 . . . . 3.66 109.317 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.427 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 35.6 m170 -69.39 -21.92 63.75 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.465 -0.789 . . . . 2.82 112.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt20 -68.88 -31.57 70.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.996 0.817 . . . . 1.45 109.049 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' A' ' 40' ' ' LEU . 93.7 m-85 -77.66 -30.83 52.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 1.4 110.003 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 29' ' ' PRO . 2.4 m -76.71 -29.72 56.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.538 0.685 . . . . 1.04 111.161 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.8 p -78.04 -3.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.69 111.569 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.2 -23.81 67.45 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.531 . . . . 2.17 110.598 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -88.74 -6.86 57.14 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.226 0.454 . . . . 2.04 112.226 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.96 -120.51 4.5 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.346 -0.701 . . . . 1.43 111.346 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -60.64 112.73 6.06 Favored Pre-proline 0 C--O 1.231 0.116 0 N-CA-C 106.111 -1.811 . . . . 3.7 106.111 166.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 66.8 Cg_endo -75.13 39.78 0.62 Allowed 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 115.155 1.175 . . . . 2.64 115.155 -153.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.59 2.82 5.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.98 2.173 . . . . 2.56 113.472 -147.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.735 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 11.9 t -157.82 173.1 17.32 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 123.158 0.583 . . . . 1.4 111.145 -168.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.37 118.41 30.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.382 -0.969 . . . . 0.73 108.382 158.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -82.74 -176.81 6.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.644 -0.822 . . . . 2.37 109.088 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' A' ' 63' ' ' MET . 35.7 tt0 -51.93 -45.69 64.41 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.5 -0.318 . . . . 1.42 111.757 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -40.2 48.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.671 -0.776 . . . . 0.44 112.415 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.6 -40.18 76.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.71 -0.245 . . . . 2.0 110.725 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.87 -46.2 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 1.47 110.912 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HA ' HG21 ' A' ' 59' ' ' ILE . 59.6 mtpt -57.78 -46.48 84.52 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.362 -0.381 . . . . 1.38 110.683 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 41.1 tt0 -62.11 -45.85 91.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 1.74 110.819 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.0 tm? -51.72 -53.64 37.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 1.43 110.207 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 95.9 t -64.4 -37.49 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.36 0.6 . . . . 0.4 110.536 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 39.9 ttm180 -67.89 -29.23 68.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.649 -0.705 . . . . 3.25 111.631 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -98.46 -53.53 3.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.309 0.485 . . . . 2.33 112.309 -175.541 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' B' ' 8' ' ' LEU . 1.7 m-20 -95.92 -41.19 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.698 0.629 . . . . 1.88 112.698 -172.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 72.1 mt -88.0 1.96 52.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.44 110.41 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.4 pt20 -52.06 -21.6 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.023 -0.99 . . . . 1.46 111.775 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 2.2 p30 -97.56 -49.68 4.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.162 -0.472 . . . . 2.14 111.284 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 86' ' ' LEU . 1.5 m-30 -69.86 -35.25 74.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.457 0.646 . . . . 1.91 110.751 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.3 22.71 15.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.742 -0.663 . . . . 0.61 109.79 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 11.1 ptmt -48.8 -42.51 36.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.899 0.703 . . . . 2.16 112.899 -174.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HD2' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -62.61 -36.76 83.78 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.651 0.739 . . . . 1.25 110.098 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.4 tt0 -75.19 -32.75 61.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.704 -1.134 . . . . 2.13 110.064 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.464 ' OD1' ' HA ' ' A' ' 42' ' ' ARG . 6.4 t30 -65.78 -16.77 64.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.117 -0.947 . . . . 1.7 111.286 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -80.86 -13.99 58.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 3.34 110.247 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -125.58 145.35 50.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.749 -0.463 . . . . 1.92 109.749 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -89.23 -33.53 16.96 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.922 0.392 . . . . 2.46 110.558 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.95 -30.04 70.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 2.5 111.725 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 11.7 t -68.86 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.66 109.53 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 38' ' ' LYS . 58.1 mt -66.95 -37.81 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.337 -0.847 . . . . 1.05 110.013 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.14 -35.4 73.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.034 -0.53 . . . . 1.86 110.887 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -63.06 -49.06 76.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.447 -0.342 . . . . 1.87 110.118 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' A' ' 66' ' ' LEU . 54.0 mt -65.86 -34.49 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.532 0.682 . . . . 1.18 110.314 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -52.88 -50.87 62.97 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.808 -1.542 . . . . 1.05 110.361 176.489 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 67' ' ' ASP . 34.0 tt0 -112.71 -28.72 7.68 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 115.399 -2.521 . . . . 2.37 110.431 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.87 -39.4 81.25 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.922 -0.486 . . . . 1.93 111.392 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 62' ' ' ILE . 10.9 mp -77.02 -15.97 59.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.805 0.336 . . . . 1.26 111.322 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB3' ' O ' ' A' ' 64' ' ' GLU . 7.7 t70 -68.5 78.37 0.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.295 1.045 . . . . 1.39 109.887 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.0 p -69.06 -27.89 66.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.121 -1.399 . . . . 1.98 111.44 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.5 -0.7 56.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.72 . . . . 2.25 109.709 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.512 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . . . 56.61 41.72 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.681 -1.145 . . . . 1.15 113.454 166.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.34 10.79 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.865 0.364 . . . . 1.95 110.635 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER 63.63 38.9 9.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.962 0.887 . . . . 1.64 108.826 -176.432 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.735 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt-30 -143.21 166.57 24.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.863 -1.517 . . . . 1.59 108.528 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 73' ' ' GLN . 50.9 mt -129.67 113.13 14.39 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.474 -0.491 . . . . 0.7 110.49 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -76.16 170.42 16.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.301 -0.863 . . . . 1.42 108.983 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 3.9 m-85 -49.74 -44.65 48.7 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.168 0.293 . . . . 3.07 111.216 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . 43.5 mt-10 -67.86 -33.67 75.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.964 0.411 . . . . 2.03 111.708 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 81' ' ' MET . 32.1 mt-10 -76.15 -47.49 24.09 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.284 0.564 . . . . 3.18 110.42 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 2.4 p90 -71.39 -26.76 62.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 119.039 -1.064 . . . . 3.12 110.446 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.774 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.2 tp -65.8 -40.09 86.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.182 -0.607 . . . . 2.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.0 ptp -63.92 -26.23 68.5 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.627 -0.429 . . . . 2.01 110.497 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.2 tm? -57.86 -43.37 85.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.136 -0.69 . . . . 1.38 109.136 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.4 -24.87 68.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.984 -0.553 . . . . 0.91 111.501 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.775 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -76.59 -38.25 55.14 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.897 0.38 . . . . 0.35 110.506 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' MET . 22.3 mtp-105 -59.34 -42.79 92.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.996 0.903 . . . . 1.67 108.714 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.6 tp -72.29 -26.54 62.01 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 114.43 -1.259 . . . . 1.68 110.136 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.408 ' HA ' HD13 ' B' ' 16' ' ' ILE . 26.0 m -65.67 -36.24 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.591 -0.277 . . . . 0.48 110.499 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 91.2 t90 -66.48 -37.62 85.51 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.412 -0.588 . . . . 3.49 109.412 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.85 89.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.563 . . . . 1.18 110.796 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.497 ' HB2' HD13 ' B' ' 16' ' ' ILE . 18.1 m -73.75 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.182 -0.463 . . . . 1.74 110.611 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.6 t-80 -67.8 -36.02 79.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.015 -0.735 . . . . 3.33 109.015 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.9 mm-40 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 114.778 -1.101 . . . . 3.3 110.489 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.606 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 40.4 mtp . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 112.489 0.551 . . . . 2.68 112.489 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.59 175.79 5.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.558 . . . . 1.22 109.837 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -64.22 -47.97 77.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.781 0.324 . . . . 2.47 110.902 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB ' ' A' ' 18' ' ' THR . 33.2 mt -69.4 -41.34 76.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.08 -0.509 . . . . 1.81 111.372 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.53 ' OE1' ' HG2' ' B' ' 5' ' ' MET . 2.8 tm-20 -63.56 -50.08 70.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 123.201 0.313 . . . . 2.28 110.679 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -55.98 -42.56 76.51 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.208 0.528 . . . . 3.54 110.515 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.481 ' O ' HG13 ' B' ' 15' ' ' ILE . 4.0 m-80 -62.17 -39.21 91.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.7 111.565 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.634 HG13 ' O ' ' B' ' 8' ' ' LEU . 66.4 mt -67.9 -47.25 79.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.33 109.964 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -57.98 -44.17 86.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 1.95 110.21 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.407 ' HB ' ' OD1' ' A' ' 11' ' ' ASN . 52.1 m -59.29 -40.87 87.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.263 -0.426 . . . . 0.44 110.554 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.714 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.0 mt -65.64 -49.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.42 110.728 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 90' ' ' SER . 96.9 mt -54.26 -52.84 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.55 -0.75 . . . . 0.42 111.667 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -70.45 -32.9 70.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.385 -0.526 . . . . 1.76 112.187 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.746 ' HB ' HD21 ' A' ' 8' ' ' LEU . 8.9 m -75.94 -47.51 24.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.387 -0.525 . . . . 0.8 110.351 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 2.5 m-85 -53.46 -41.15 65.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.298 -0.63 . . . . 3.66 109.298 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 35.5 m170 -69.45 -21.69 63.7 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.417 -0.811 . . . . 2.83 112.94 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' B' ' 18' ' ' THR . 8.7 pt20 -69.05 -31.72 70.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.982 0.81 . . . . 1.45 108.898 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.544 ' CD2' HD23 ' B' ' 40' ' ' LEU . 93.6 m-85 -77.7 -30.7 51.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 1.4 109.903 173.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' B' ' 31' ' ' THR . 2.4 m -76.62 -29.84 56.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.541 0.686 . . . . 1.04 111.189 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.527 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -77.92 -3.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 0.69 111.497 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.21 -23.7 67.4 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 2.17 110.606 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -88.68 -6.91 57.15 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.156 -0.474 . . . . 2.04 112.178 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.6 -121.45 4.86 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 110.99 -0.844 . . . . 1.43 110.99 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -59.45 112.46 5.25 Favored Pre-proline 0 C--O 1.232 0.137 0 N-CA-C 106.374 -1.713 . . . . 3.7 106.374 166.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.527 ' HB3' ' CA ' ' B' ' 24' ' ' VAL . 65.0 Cg_endo -75.23 39.76 0.63 Allowed 'Trans proline' 0 CA--C 1.517 -0.334 0 N-CA-C 115.258 1.215 . . . . 2.64 115.258 -153.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.71 3.0 5.55 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 121.995 2.179 . . . . 2.56 113.337 -147.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.728 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 12.0 t -157.82 173.18 17.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.164 0.586 . . . . 1.4 111.175 -168.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.51 118.38 30.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.318 -0.993 . . . . 0.73 108.318 158.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.69 -176.77 6.44 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.763 -0.775 . . . . 2.37 109.068 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' B' ' 63' ' ' MET . 35.4 tt0 -51.83 -46.01 64.17 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.46 -0.336 . . . . 1.42 111.75 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.6 -40.09 47.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.68 -0.772 . . . . 0.44 112.297 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.64 -39.89 76.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.654 0.264 . . . . 2.01 110.755 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.97 -46.15 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.385 . . . . 1.47 110.952 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.41 ' HA ' HG21 ' B' ' 59' ' ' ILE . 59.3 mtpt -57.74 -46.7 84.11 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.305 -0.407 . . . . 1.39 110.707 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 41.7 tt0 -61.86 -45.72 92.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.053 -0.521 . . . . 1.75 110.89 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.0 tm? -51.92 -53.66 38.44 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.87 0.367 . . . . 1.43 110.201 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 96.8 t -64.29 -37.45 79.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.358 0.599 . . . . 0.4 110.612 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.546 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 39.7 ttm180 -68.15 -28.8 67.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 3.25 111.723 -174.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -98.61 -53.37 3.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.373 0.509 . . . . 2.33 112.373 -175.716 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' A' ' 8' ' ' LEU . 1.8 m-20 -96.17 -41.2 8.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.755 0.65 . . . . 1.87 112.755 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 73.0 mt -87.84 1.93 52.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.44 110.512 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.4 pt20 -52.11 -21.67 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.0 -1.0 . . . . 1.46 111.805 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.57 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 2.2 p30 -97.32 -49.64 4.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 2.14 111.343 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' B' ' 86' ' ' LEU . 1.5 m-30 -69.9 -35.56 74.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.457 0.646 . . . . 1.92 110.675 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -108.97 22.75 15.5 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.722 -0.672 . . . . 0.61 109.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 11.0 ptmt -48.8 -42.78 37.01 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.878 0.696 . . . . 2.15 112.878 -174.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.598 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -62.52 -36.65 83.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.67 0.748 . . . . 1.25 110.094 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.3 tt0 -75.27 -32.74 61.13 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.701 -1.136 . . . . 2.13 109.975 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' B' ' 42' ' ' ARG . 6.2 t30 -65.77 -16.8 64.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.127 -0.942 . . . . 1.7 111.179 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -81.09 -13.22 58.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 3.34 110.254 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -126.12 145.51 50.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.722 -0.473 . . . . 1.92 109.722 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.5 -33.45 16.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.839 0.352 . . . . 2.46 110.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.0 -29.77 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.804 -0.634 . . . . 2.5 111.672 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 11.7 t -68.97 -41.44 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.66 109.631 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.41 HG21 ' HA ' ' B' ' 38' ' ' LYS . 57.4 mt -67.03 -37.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.245 -0.889 . . . . 1.05 110.014 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.17 -35.09 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.026 -0.534 . . . . 1.85 110.823 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -63.28 -49.31 74.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.114 -0.328 . . . . 1.87 110.114 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' B' ' 66' ' ' LEU . 53.8 mt -65.81 -34.38 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.536 0.684 . . . . 1.18 110.408 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -52.84 -50.83 62.94 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 113.839 -1.528 . . . . 1.05 110.389 176.403 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' B' ' 67' ' ' ASP . 34.0 tt0 -112.6 -29.03 7.6 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 115.404 -2.518 . . . . 2.36 110.323 -167.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.74 -39.41 80.84 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.405 -0.518 . . . . 1.93 111.283 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' B' ' 62' ' ' ILE . 10.9 mp -77.28 -15.63 59.35 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.887 0.375 . . . . 1.26 111.227 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' B' ' 64' ' ' GLU . 7.4 t70 -68.53 78.08 0.28 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.272 1.034 . . . . 1.4 109.946 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 61.0 p -68.95 -28.24 66.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.19 -1.368 . . . . 1.98 111.306 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -86.19 -0.8 56.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.672 -0.695 . . . . 2.25 109.668 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.515 ' HA ' ' OD2' ' B' ' 67' ' ' ASP . . . 56.92 41.42 27.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.679 -1.146 . . . . 1.14 113.499 167.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.16 10.98 14.0 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.91 -0.316 . . . . 1.95 110.66 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.7 OUTLIER 63.9 38.16 9.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.849 0.833 . . . . 1.64 108.909 -176.57 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.728 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 89.2 mt-30 -142.79 166.5 24.47 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.06 -1.427 . . . . 1.59 108.552 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 ' O ' ' B' ' 73' ' ' GLN . 50.4 mt -129.7 113.3 14.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.187 0.518 . . . . 0.7 110.498 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.6 t -76.11 170.33 16.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.147 -0.933 . . . . 1.41 109.105 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.752 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 3.9 m-85 -49.63 -44.54 47.47 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.207 0.317 . . . . 3.06 111.148 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.609 ' O ' HG22 ' B' ' 80' ' ' ILE . 43.9 mt-10 -67.98 -33.64 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 2.04 111.768 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 81' ' ' MET . 32.2 mt-10 -76.34 -47.33 23.88 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.252 0.549 . . . . 3.18 110.367 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.752 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 2.3 p90 -71.4 -26.79 62.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 118.955 -1.098 . . . . 3.12 110.551 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.2 tp -65.84 -40.12 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.17 -0.612 . . . . 2.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 24.0 ptp -63.98 -26.07 68.41 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.549 -0.46 . . . . 2.01 110.43 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.622 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.2 tm? -57.87 -43.37 85.97 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.202 -0.666 . . . . 1.38 109.202 171.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.46 -24.87 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.91 111.396 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -76.58 -38.2 55.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.875 0.369 . . . . 0.35 110.554 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' B' ' 81' ' ' MET . 22.9 mtp-105 -59.52 -42.67 92.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.062 0.934 . . . . 1.67 108.682 175.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 48' ' ' PHE . 21.5 tp -72.24 -26.59 62.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.405 -1.27 . . . . 1.68 110.106 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -36.26 83.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.549 -0.296 . . . . 0.48 110.535 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.59 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 91.1 t90 -66.48 -37.45 85.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.438 -0.578 . . . . 3.49 109.438 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.96 89.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 1.18 110.775 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.493 ' HB2' HD13 ' A' ' 16' ' ' ILE . 18.4 m -73.77 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.089 -0.505 . . . . 1.74 110.713 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.7 t-80 -67.81 -35.81 79.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.987 -0.745 . . . . 3.33 108.987 172.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 11.6 mm-40 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 114.785 -1.098 . . . . 3.29 110.396 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.479 ' HE1' ' HB2' ' A' ' 13' ' ' GLU . 2.0 ttt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.902 0.382 . . . . 2.68 110.747 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -87.38 174.86 8.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 1.22 110.073 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.66 -46.58 86.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.47 110.862 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CD1' ' HA ' ' B' ' 15' ' ' ILE . 3.9 mm? -64.73 -45.53 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 1.81 110.666 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 71.5 mt-10 -61.61 -46.58 89.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.316 -0.402 . . . . 2.29 111.141 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -59.4 -37.94 79.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.797 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.71 -45.25 83.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.336 . . . . 1.71 110.357 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -60.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.32 110.682 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 5' ' ' MET . 1.6 tm-20 -62.63 -36.89 84.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.698 -0.228 . . . . 1.95 110.546 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.8 m -64.61 -37.02 86.14 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.156 0.503 . . . . 0.44 110.545 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.612 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 44.0 mt -70.13 -44.55 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.42 109.883 175.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 85.2 mt -57.77 -40.07 73.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.518 -0.765 . . . . 0.42 110.627 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 12.6 m120 -67.29 -45.96 75.03 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.855 0.317 . . . . 1.76 111.855 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.3 m -63.73 -47.75 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.506 0.67 . . . . 0.8 109.848 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CD2' HD11 ' A' ' 32' ' ' LEU . 2.0 m-85 -64.07 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 3.66 109.415 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 7.1 t60 -58.65 -50.73 72.79 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.394 0.678 . . . . 2.82 111.392 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 18' ' ' THR . 27.4 pt20 -62.35 -34.45 76.67 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.606 -0.438 . . . . 1.45 111.285 -176.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -80.21 -31.05 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.279 -0.569 . . . . 1.4 111.724 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.73 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 24.3 p -78.91 -33.13 45.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.379 0.609 . . . . 1.04 110.663 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' A' ' 29' ' ' PRO . 4.3 p -72.01 -4.4 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.485 -0.779 . . . . 0.69 111.029 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 9.1 mtpm? -64.86 -28.61 69.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.851 -0.613 . . . . 2.17 109.853 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -91.43 12.51 20.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.025 -0.534 . . . . 2.04 111.811 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.63 -129.05 9.72 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.772 -0.728 . . . . 1.43 111.683 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -59.36 112.04 4.62 Favored Pre-proline 0 CA--C 1.516 -0.358 0 N-CA-C 106.447 -1.686 . . . . 3.7 106.447 168.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 23' ' ' SER . 57.0 Cg_endo -75.42 37.96 0.53 Allowed 'Trans proline' 0 C--O 1.222 -0.277 0 N-CA-C 116.077 1.529 . . . . 2.64 116.077 -149.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.13 6.21 2.31 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 123.118 2.69 . . . . 2.56 114.54 -150.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -156.27 157.45 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.075 0.55 . . . . 1.4 111.697 -175.609 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 19' ' ' PHE . 87.9 mt -100.52 120.89 40.69 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 0.73 108.362 161.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 4.0 m-20 -81.77 169.86 16.41 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.86 -0.736 . . . . 2.37 109.964 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -52.09 -39.71 60.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.063 0.394 . . . . 1.42 112.063 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.7 -39.0 49.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.44 111.715 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 7.4 mp0 -65.0 -42.06 94.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.353 -0.423 . . . . 2.0 110.464 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.56 -47.23 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.949 -0.569 . . . . 1.47 110.905 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 97.4 mttt -55.15 -48.43 73.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.38 110.452 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.522 ' HG2' ' CE ' ' A' ' 43' ' ' LYS . 29.1 tt0 -64.33 -41.58 96.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 1.74 110.673 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.91 -53.62 56.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 1.43 110.015 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 92.0 t -58.19 -38.47 68.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.4 111.212 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 95.3 mtt180 -67.83 -29.65 68.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.924 0.713 . . . . 3.25 112.924 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.6 mtmp? -110.74 -36.09 5.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.522 0.564 . . . . 2.33 112.522 -174.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 9.0 m-20 -105.45 -31.52 8.97 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.967 -0.293 . . . . 1.88 111.541 -170.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 86.5 mt -101.36 5.53 42.26 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.758 0.423 . . . . 0.44 110.912 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 28.6 pt20 -51.04 -22.11 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.46 112.747 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.661 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 35.1 m-80 -97.55 -48.65 5.18 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.454 -0.573 . . . . 2.14 109.454 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -36.42 83.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.734 0.778 . . . . 1.91 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 HD12 HG13 ' A' ' 41' ' ' VAL . 81.2 mt -112.21 22.66 14.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.332 -0.849 . . . . 0.61 110.892 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.661 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -43.0 22.5 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.208 0.317 . . . . 2.16 111.538 -175.717 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.638 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 1.6 mppt? -61.05 -47.48 86.2 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 122.567 1.175 . . . . 1.25 109.562 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 112.656 -2.065 . . . . 2.13 110.994 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.501 ' OD1' ' HG2' ' A' ' 42' ' ' ARG . 46.1 t30 -69.33 -17.02 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.371 0.605 . . . . 1.7 110.932 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -81.87 -5.11 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 3.34 110.085 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' OD1' ' HD3' ' A' ' 57' ' ' LYS . 35.7 t30 -127.61 147.1 50.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 1.92 109.794 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.5 mt-10 -86.83 -44.49 11.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 2.46 111.658 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.62 -29.27 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.882 -170.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.7 m -69.47 -39.72 78.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.66 111.132 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.421 HD12 HG11 ' A' ' 41' ' ' VAL . 30.6 mm -64.25 -37.42 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.462 -0.57 . . . . 1.05 109.462 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt-10 -65.84 -35.18 79.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.519 -0.764 . . . . 1.86 110.509 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.87 -48.45 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.09 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 58' ' ' VAL . 47.4 mm -58.55 -36.86 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.739 0.78 . . . . 1.18 109.953 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.508 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 14.1 tpt -62.08 -50.35 72.3 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-N 113.688 -1.596 . . . . 1.05 111.387 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 30.6 tt0 -102.45 -28.0 12.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 114.238 -2.985 . . . . 2.37 108.806 -161.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.17 -38.86 71.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.352 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.0 -22.87 36.3 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.101 0.408 . . . . 1.26 112.101 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' OD2' ' HE3' ' A' ' 72' ' ' LYS . 17.3 t0 -66.5 78.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.621 0.724 . . . . 1.39 110.795 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.8 -21.38 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.156 -0.929 . . . . 1.98 110.157 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -86.64 -4.8 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 2.25 109.438 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.81 25.3 3.78 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.602 -1.181 . . . . 1.15 113.756 168.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -119.95 20.59 12.13 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.75 0.31 . . . . 1.95 111.203 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 64.04 39.68 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.531 -0.759 . . . . 1.64 109.399 -177.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.635 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 25.8 mt-30 -138.5 141.32 39.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.569 -1.196 . . . . 1.59 109.493 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.508 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 54.7 mt -115.08 114.25 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.713 -0.477 . . . . 0.7 109.713 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.412 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 35.5 t -76.14 171.15 14.97 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.73 -0.841 . . . . 1.42 108.73 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 9.1 p90 -50.46 -39.26 47.37 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.318 0.488 . . . . 3.07 112.318 -174.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.519 ' O ' HG22 ' A' ' 80' ' ' ILE . 53.0 mt-10 -75.05 -32.52 61.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.067 0.395 . . . . 2.03 112.067 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.7 mp0 -73.28 -45.98 52.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.08 -0.387 . . . . 3.18 110.805 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 1.8 p90 -72.97 -26.34 61.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.769 -0.772 . . . . 3.12 110.927 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.84 -37.81 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.52 -0.472 . . . . 2.0 109.871 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.5 ttt -57.32 -30.31 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.271 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.4 tm? -65.69 -40.04 91.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.779 -0.452 . . . . 1.38 109.779 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.31 -30.59 68.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.218 0.532 . . . . 0.91 109.647 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.35 -38.02 65.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.35 110.639 177.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -62.93 -32.91 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.402 0.62 . . . . 1.67 109.338 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 40.6 mt -70.86 -33.64 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 1.68 109.951 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.7 m -65.92 -41.05 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.358 0.599 . . . . 0.48 110.079 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.621 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.5 t-105 -65.44 -35.95 82.44 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.52 -0.764 . . . . 3.49 109.448 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.53 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 1.18 110.814 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.3 t -69.09 -36.62 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.047 0.451 . . . . 1.74 109.803 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -62.81 -36.16 82.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 3.33 110.063 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.1 mm-40 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.464 -0.789 . . . . 3.3 111.286 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.469 ' HE1' ' HB2' ' B' ' 13' ' ' GLU . 2.0 ttt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.876 0.369 . . . . 2.68 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -86.95 174.73 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 1.22 110.117 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.43 -46.49 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 2.47 110.909 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.612 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 3.9 mm? -64.81 -45.61 85.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.591 . . . . 1.81 110.645 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' B' ' 5' ' ' MET . 71.8 mt-10 -61.46 -46.58 89.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.269 -0.423 . . . . 2.28 111.083 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -59.55 -37.83 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.802 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.79 -45.32 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 1.7 110.347 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 79.2 mt -60.52 -47.93 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.33 110.757 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' HE1' ' B' ' 5' ' ' MET . 1.6 tm-20 -62.49 -36.9 83.96 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.721 -0.218 . . . . 1.95 110.644 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -36.9 85.81 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.479 . . . . 0.44 110.584 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 44.1 mt -69.98 -44.59 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.42 109.938 174.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 85.6 mt -57.69 -40.37 75.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 115.468 -0.787 . . . . 0.42 110.593 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 12.4 m120 -66.94 -46.08 75.84 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.832 0.308 . . . . 1.76 111.832 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 31.5 m -63.59 -48.0 79.16 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.513 0.673 . . . . 0.8 109.9 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' B' ' 32' ' ' LEU . 2.0 m-85 -64.0 -33.88 76.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.482 -0.781 . . . . 3.66 109.502 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 16' ' ' ILE . 27.3 t-80 -58.85 -50.83 72.53 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.402 0.681 . . . . 2.83 111.305 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' B' ' 18' ' ' THR . 27.5 pt20 -62.2 -34.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.645 -0.422 . . . . 1.45 111.343 -176.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -80.19 -30.94 38.79 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.32 -0.552 . . . . 1.4 111.761 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.724 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.9 p -78.91 -33.49 45.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.365 0.603 . . . . 1.04 110.635 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 4.3 p -71.54 -4.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.525 -0.761 . . . . 0.69 111.169 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 9.1 mtpm? -64.59 -29.04 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.895 -0.593 . . . . 2.17 109.847 176.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 26' ' ' LEU . 2.9 mm? -90.94 12.39 19.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 2.04 111.779 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 -129.12 9.74 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.69 -0.767 . . . . 1.43 111.743 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -59.33 112.38 5.09 Favored Pre-proline 0 CA--C 1.517 -0.317 0 N-CA-C 106.42 -1.696 . . . . 3.7 106.42 168.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' B' ' 23' ' ' SER . 55.8 Cg_endo -75.65 38.24 0.56 Allowed 'Trans proline' 0 C--O 1.223 -0.267 0 N-CA-C 116.21 1.581 . . . . 2.64 116.21 -150.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.35 6.02 2.55 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 123.135 2.698 . . . . 2.56 114.504 -149.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.633 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -156.22 157.21 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.137 0.575 . . . . 1.4 111.777 -175.58 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' B' ' 19' ' ' PHE . 86.3 mt -100.1 120.92 40.6 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.5 -0.926 . . . . 0.73 108.5 161.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 3.8 m-20 -81.79 169.54 16.78 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.895 -0.722 . . . . 2.37 109.961 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.65 -40.17 59.48 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.985 0.365 . . . . 1.42 111.985 -171.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.29 -38.85 53.12 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.737 -0.744 . . . . 0.44 111.808 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 7.6 mp0 -65.39 -42.07 93.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.368 -0.416 . . . . 2.01 110.408 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 1.47 110.967 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 97.3 mttt -55.02 -48.76 72.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.299 -0.41 . . . . 1.39 110.428 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.513 ' HG2' ' CE ' ' B' ' 43' ' ' LYS . 28.7 tt0 -63.99 -41.62 97.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 1.75 110.765 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.93 -53.69 55.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.902 -0.407 . . . . 1.43 109.902 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.2 t -58.2 -38.38 67.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.4 111.172 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 95.5 mtt180 -67.9 -29.63 68.77 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.954 0.724 . . . . 3.25 112.954 -173.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.513 ' CE ' ' HG2' ' B' ' 39' ' ' GLU . 5.6 mtmp? -110.61 -36.09 5.83 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.349 0.499 . . . . 2.33 112.349 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 8.6 m-20 -105.48 -31.33 9.04 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.932 -0.307 . . . . 1.87 111.522 -170.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 86.6 mt -101.5 5.52 41.92 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.363 0.414 . . . . 0.44 110.794 173.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 28.5 pt20 -50.93 -22.18 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.371 -0.832 . . . . 1.46 112.767 -174.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.672 ' O ' ' HD2' ' B' ' 50' ' ' LYS . 35.0 m-80 -97.58 -48.75 5.13 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.394 -0.595 . . . . 2.14 109.394 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -36.32 82.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.788 0.804 . . . . 1.92 109.74 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.492 HD12 HG13 ' B' ' 41' ' ' VAL . 81.0 mt -112.31 22.68 14.46 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.36 -0.837 . . . . 0.61 110.817 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.672 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -42.97 22.46 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.233 0.333 . . . . 2.15 111.51 -175.676 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.646 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 1.6 mppt? -61.2 -47.24 87.03 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.669 1.223 . . . . 1.25 109.62 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.6 -31.88 63.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 112.658 -2.065 . . . . 2.13 110.939 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' B' ' 42' ' ' ARG . 45.4 t30 -69.16 -17.06 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 1.7 110.864 -173.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -81.85 -5.0 57.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.041 -0.527 . . . . 3.34 110.156 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' B' ' 57' ' ' LYS . 35.9 t30 -127.85 147.27 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.641 -0.503 . . . . 1.92 109.641 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 38.5 mt-10 -87.11 -44.39 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 2.46 111.588 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -64.73 -29.25 70.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.8 -170.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.477 ' O ' HG12 ' B' ' 62' ' ' ILE . 1.6 m -69.52 -39.84 78.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.145 -0.479 . . . . 0.66 111.056 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.43 HD12 HG11 ' B' ' 41' ' ' VAL . 30.7 mm -64.15 -37.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.395 -0.595 . . . . 1.05 109.395 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 27.5 mt-10 -65.86 -35.28 80.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.548 -0.751 . . . . 1.85 110.597 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.74 -48.42 71.96 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.87 110.053 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 58' ' ' VAL . 47.3 mm -58.57 -36.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.657 0.741 . . . . 1.18 109.958 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.495 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 14.1 tpt -62.35 -49.98 73.42 Favored 'General case' 0 N--CA 1.42 -1.943 0 CA-C-N 113.641 -1.618 . . . . 1.05 111.379 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 30.3 tt0 -102.81 -27.88 12.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 114.342 -2.943 . . . . 2.36 108.816 -161.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.09 -39.32 71.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.331 -0.395 . . . . 1.93 110.342 169.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -81.74 -22.72 37.12 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.094 0.405 . . . . 1.26 112.094 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.515 ' OD2' ' HE3' ' B' ' 72' ' ' LYS . 16.9 t0 -66.76 78.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.713 0.768 . . . . 1.4 110.804 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.17 -21.65 64.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.161 -0.927 . . . . 1.98 110.09 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -86.61 -4.64 59.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 2.25 109.336 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.68 25.51 3.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.723 -1.126 . . . . 1.14 113.792 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.01 20.08 12.2 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.748 0.309 . . . . 1.95 111.131 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.515 ' HE3' ' OD2' ' B' ' 67' ' ' ASP . 0.0 OUTLIER 64.63 39.29 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.566 -0.743 . . . . 1.64 109.482 -177.519 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.633 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.0 mt-30 -138.37 141.38 39.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.632 -1.167 . . . . 1.59 109.359 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.495 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 54.8 mt -115.13 114.18 24.96 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.643 -0.503 . . . . 0.7 109.643 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -76.48 171.32 14.8 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.717 -0.845 . . . . 1.41 108.717 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.703 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 9.4 p90 -50.46 -39.37 47.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.338 0.495 . . . . 3.06 112.338 -174.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.525 ' O ' HG22 ' B' ' 80' ' ' ILE . 55.3 mt-10 -75.04 -32.63 61.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.033 0.382 . . . . 2.04 112.033 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.17 -45.74 54.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.82 -0.352 . . . . 3.18 110.871 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 1.7 p90 -73.11 -26.27 61.18 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 119.663 -0.815 . . . . 3.12 110.823 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.9 -37.83 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.469 -0.492 . . . . 2.0 109.802 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 21.7 ttt -57.31 -30.34 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 2.01 110.255 172.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.4 tm? -65.57 -40.05 92.33 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.771 -0.455 . . . . 1.38 109.771 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.35 -30.69 68.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.579 -0.526 . . . . 0.91 109.579 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.35 -37.9 65.93 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.64 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.8 mtp180 -63.08 -32.57 73.97 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.357 -0.608 . . . . 1.67 109.357 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 41.4 mt -71.09 -33.77 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.771 . . . . 1.68 109.908 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 55.2 m -65.82 -40.92 92.28 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.328 0.585 . . . . 0.48 110.145 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.632 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.5 t-105 -65.41 -35.91 82.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.517 -0.765 . . . . 3.49 109.374 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.51 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.679 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 33.4 t -69.15 -36.49 77.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 1.74 109.893 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.8 -35.87 81.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 3.33 110.109 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 12.0 mm-40 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.444 -0.798 . . . . 3.29 111.308 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.514 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 32.3 mtt . . . . . 0 C--O 1.235 0.317 0 N-CA-C 112.987 0.736 . . . . 2.68 112.987 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -75.54 176.21 7.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.367 -1.288 . . . . 1.22 109.411 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.76 -45.38 82.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 2.47 110.216 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 tp -62.56 -46.04 90.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.54 -0.755 . . . . 1.81 110.992 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 84.7 mt-10 -64.81 -49.7 69.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.191 -0.459 . . . . 2.29 111.975 -174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 10' ' ' ARG . 56.2 mtt180 -60.99 -34.44 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.986 0.422 . . . . 3.54 110.365 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.96 -41.29 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.739 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 8' ' ' LEU . 64.6 mt -62.48 -47.18 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.32 109.734 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -58.43 -40.46 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.595 -0.729 . . . . 1.95 110.177 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -68.6 -39.54 80.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.433 -0.349 . . . . 0.44 111.222 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' B' ' 15' ' ' ILE . 43.4 mt -62.49 -44.04 98.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.286 0.565 . . . . 0.42 109.938 174.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.71 -38.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.42 110.044 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.15 -41.11 86.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.606 -0.724 . . . . 1.76 110.451 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 22' ' ' TYR . 43.4 m -62.3 -50.26 72.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.118 0.485 . . . . 0.8 110.148 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.62 -47.32 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 3.66 109.282 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -57.15 -46.35 82.81 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.837 -1.074 . . . . 2.82 112.368 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -66.49 -35.63 80.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.68 -0.408 . . . . 1.45 111.229 -175.228 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 90.0 m-85 -78.52 -32.82 48.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.446 -0.502 . . . . 1.4 110.67 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.678 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 25.5 p -78.89 -35.66 43.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.379 0.609 . . . . 1.04 111.013 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 4.8 p -71.49 -5.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.51 -0.768 . . . . 0.69 111.072 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 49.8 mttp -62.5 -23.01 66.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.511 -0.768 . . . . 2.17 109.753 172.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.68 -5.6 41.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.969 -0.56 . . . . 2.04 112.222 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.89 -123.76 6.01 Favored Glycine 0 N--CA 1.463 0.439 0 C-N-CA 120.953 -0.641 . . . . 1.43 111.609 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -63.35 105.15 0.6 Allowed Pre-proline 0 CA--C 1.516 -0.341 0 N-CA-C 106.438 -1.69 . . . . 3.7 106.438 167.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.678 ' O ' ' HB2' ' A' ' 23' ' ' SER . 36.8 Cg_endo -76.83 48.24 2.4 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 N-CA-C 115.681 1.377 . . . . 2.64 115.681 -149.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.66 -7.02 45.33 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 123.487 2.858 . . . . 2.56 112.212 -149.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.605 ' CB ' ' HB3' ' A' ' 73' ' ' GLN . 59.8 p -154.13 161.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.636 0.774 . . . . 1.4 110.419 -168.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 60.5 mt -99.59 121.48 41.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.947 -0.76 . . . . 0.73 108.947 163.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.554 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . 12.1 t-20 -79.69 163.99 24.09 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.058 -1.057 . . . . 2.37 109.168 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 24.3 tt0 -51.53 -37.83 51.25 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.1 0.407 . . . . 1.42 112.1 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.23 43.78 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.68 -0.772 . . . . 0.44 111.466 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 33' ' ' ASN . 3.9 mp0 -63.02 -44.41 96.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.503 . . . . 2.0 110.408 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.49 -44.11 83.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.034 -0.53 . . . . 1.47 111.496 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -54.21 -48.25 71.25 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.359 -0.608 . . . . 1.38 109.359 178.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE2' ' HD2' ' A' ' 42' ' ' ARG . 1.5 tp10 -62.76 -42.9 99.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.902 -1.045 . . . . 1.74 110.71 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 32' ' ' LEU . 10.2 tt -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 1.43 109.773 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 90.6 t -69.99 -37.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.049 -0.523 . . . . 0.4 111.111 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 91.5 mtt180 -61.92 -31.3 71.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.859 0.318 . . . . 3.25 111.859 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -118.51 -30.89 5.06 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.205 0.817 . . . . 2.33 113.205 -170.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 5.0 m-20 -105.98 -33.55 7.88 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.125 -0.63 . . . . 1.88 112.352 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 95.2 mt -101.6 5.02 41.45 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.996 0.426 . . . . 0.44 111.303 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 29.9 pt20 -51.6 -23.36 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.347 -0.842 . . . . 1.46 113.072 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' OE2' ' B' ' 9' ' ' GLU . 51.0 t30 -106.77 -39.02 5.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.277 0.561 . . . . 2.14 110.39 -173.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' B' ' 9' ' ' GLU . 0.1 OUTLIER -73.79 -35.71 64.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.62 0.724 . . . . 1.91 109.476 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.57 22.17 15.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.045 -0.98 . . . . 0.61 110.479 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 10.7 ptpp? -48.49 -39.69 23.96 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.246 0.341 . . . . 2.16 111.675 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 1.3 mtmp? -58.53 -42.9 88.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 1.25 110.78 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.419 -0.81 . . . . 2.13 110.333 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -63.85 -16.65 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.7 111.307 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.3 mtpp -81.92 -6.38 59.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.536 . . . . 3.34 110.729 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.39 143.28 37.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.093 -0.706 . . . . 1.92 109.093 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.47 -29.33 15.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.06 0.457 . . . . 2.46 110.621 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.11 -26.61 65.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.802 -0.635 . . . . 2.5 110.529 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.73 -36.94 60.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.461 -0.57 . . . . 0.66 109.461 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 63' ' ' MET . 29.8 mm -64.75 -37.43 80.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.804 -0.634 . . . . 1.05 109.429 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.77 -35.11 80.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.86 111.054 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 22.2 m-70 -65.62 -49.29 69.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.973 -0.291 . . . . 1.87 111.12 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.65 -39.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.818 0.818 . . . . 1.18 109.087 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.81 -48.94 79.52 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 113.328 -1.76 . . . . 1.05 111.858 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 39.8 mt-10 -111.32 -29.58 7.76 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 115.371 -2.532 . . . . 2.37 110.973 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 62.7 m-20 -57.44 -33.16 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.987 -0.685 . . . . 1.93 109.711 170.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.665 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 55.5 mt -95.16 -13.26 25.18 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 112.771 0.656 . . . . 1.26 112.771 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 t0 -59.5 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.544 1.164 . . . . 1.39 110.038 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.7 -24.35 64.48 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.164 -1.835 . . . . 1.98 111.451 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -88.07 -5.08 58.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.023 -0.732 . . . . 2.25 109.023 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.44 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.761 -1.109 . . . . 1.15 112.688 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 33.8 m-20 -116.48 16.89 15.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.53 -0.304 . . . . 1.95 111.326 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.558 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.46 40.25 4.75 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.291 -1.003 . . . . 1.64 108.291 -173.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.605 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 99.0 mt-30 -142.75 138.31 30.39 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.385 -1.28 . . . . 1.59 110.129 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.684 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 14.3 mt -101.41 116.22 32.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.488 -0.323 . . . . 0.7 110.651 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 p -79.0 160.76 27.04 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.649 -0.5 . . . . 1.42 109.649 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -50.74 -36.22 35.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.701 0.286 . . . . 3.07 111.267 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.13 -30.81 63.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.889 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.684 ' OE1' ' HB3' ' A' ' 74' ' ' LEU . 8.5 tm-20 -74.39 -50.76 17.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.176 -0.609 . . . . 3.18 109.844 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HG2' ' A' ' 83' ' ' MET . 88.2 t80 -57.63 -38.45 75.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.325 0.583 . . . . 3.12 110.337 -174.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.83 HG21 ' HB2' ' B' ' 84' ' ' ALA . 1.7 tp -68.19 -45.13 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 115.534 -0.757 . . . . 2.0 109.989 178.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -36.22 73.82 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.515 0.326 . . . . 2.01 110.712 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.84 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.971 -0.752 . . . . 1.38 108.971 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 30.7 mmt -59.82 -30.93 69.26 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.701 -0.681 . . . . 0.91 110.3 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.91 -44.53 54.84 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.87 0.367 . . . . 0.35 110.714 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.05 -37.48 77.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.934 -0.765 . . . . 1.67 108.934 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.3 -31.78 64.24 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.747 -1.115 . . . . 1.68 110.475 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.6 m -63.97 -48.16 77.55 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.526 -0.47 . . . . 0.48 111.043 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -83.33 -37.52 23.28 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.993 -0.683 . . . . 3.49 110.312 -174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.45 -51.13 55.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.499 . . . . 1.18 111.073 -174.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -80.01 -44.35 20.33 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 120.005 -0.678 . . . . 1.74 111.539 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.02 -43.01 22.7 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.038 -0.528 . . . . 3.33 110.131 -166.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.436 -1.128 0 C-N-CA 119.848 -0.741 . . . . 3.3 112.477 -176.483 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.513 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 31.7 mtt . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.676 0.75 . . . . 2.68 113.01 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -75.46 176.13 7.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.51 -1.223 . . . . 1.22 109.46 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.79 -45.25 82.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.418 . . . . 2.47 110.13 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.2 tp -62.57 -46.18 89.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 1.81 110.935 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 84.2 mt-10 -64.65 -49.72 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 2.28 111.987 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -61.14 -34.39 74.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 3.54 110.218 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -68.91 -41.3 78.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 1.7 110.66 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 8' ' ' LEU . 65.3 mt -62.54 -47.2 94.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.729 -0.471 . . . . 0.33 109.729 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -58.45 -40.54 82.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.598 -0.728 . . . . 1.95 110.054 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.5 m -68.54 -39.36 81.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.461 -0.336 . . . . 0.44 111.332 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' A' ' 15' ' ' ILE . 43.7 mt -62.76 -43.73 98.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 121.261 0.553 . . . . 0.42 109.968 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.84 -38.03 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.12 -0.945 . . . . 0.42 109.999 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -67.31 -41.07 85.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.525 -0.761 . . . . 1.76 110.388 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' B' ' 22' ' ' TYR . 40.7 m -62.15 -50.33 72.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.191 0.519 . . . . 0.8 110.179 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.81 -47.18 71.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.775 -0.648 . . . . 3.66 109.284 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -57.22 -46.39 82.98 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 114.852 -1.067 . . . . 2.83 112.38 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.559 ' HG3' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -66.54 -35.53 80.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.094 0.406 . . . . 1.45 111.21 -175.286 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.559 ' N ' ' HG3' ' B' ' 21' ' ' GLN . 90.3 m-85 -78.6 -32.74 47.69 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.525 -0.47 . . . . 1.4 110.747 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.7 p -78.95 -35.72 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.352 0.596 . . . . 1.04 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.562 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 4.9 p -71.63 -5.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.73 . . . . 0.69 110.924 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 50.5 mttp -62.93 -22.85 67.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.742 . . . . 2.17 109.719 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.86 -5.14 42.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.884 -0.598 . . . . 2.04 112.227 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.95 -124.48 6.37 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 120.97 -0.633 . . . . 1.43 111.552 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -62.34 105.24 0.59 Allowed Pre-proline 0 N--CA 1.465 0.3 0 N-CA-C 106.462 -1.681 . . . . 3.7 106.462 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.671 ' O ' ' HB2' ' B' ' 23' ' ' SER . 35.5 Cg_endo -77.02 48.32 2.47 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 N-CA-C 115.699 1.384 . . . . 2.64 115.699 -149.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.82 -6.94 45.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 123.473 2.851 . . . . 2.56 112.2 -149.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.604 ' CB ' ' HB3' ' B' ' 73' ' ' GLN . 67.2 p -154.04 162.12 41.43 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.639 0.776 . . . . 1.4 110.54 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 40' ' ' LEU . 59.7 mt -99.75 121.42 41.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.959 -0.756 . . . . 0.73 108.959 163.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.567 ' HB3' ' OE2' ' B' ' 36' ' ' GLU . 11.8 t-20 -79.73 163.91 24.12 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.022 -1.071 . . . . 2.37 109.126 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' HG3' ' B' ' 63' ' ' MET . 24.0 tt0 -51.41 -37.69 49.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.987 0.366 . . . . 1.42 111.987 -172.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.09 -42.65 43.12 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.76 -0.733 . . . . 0.44 111.539 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.567 ' OE2' ' HB3' ' B' ' 33' ' ' ASN . 3.4 mp0 -62.82 -44.5 95.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.15 -0.525 . . . . 2.01 110.292 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -66.48 -44.16 83.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.47 111.497 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -54.11 -48.2 71.01 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.361 -0.607 . . . . 1.39 109.361 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' B' ' 42' ' ' ARG . 1.4 tp10 -62.92 -42.67 99.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.872 -1.058 . . . . 1.75 110.815 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 32' ' ' LEU . 10.2 tt -55.74 -46.9 77.71 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.072 -0.513 . . . . 1.43 109.706 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.6 t -70.01 -37.38 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.063 -0.517 . . . . 0.4 111.139 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 38' ' ' LYS . 91.6 mtt180 -62.01 -31.22 71.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.587 -0.278 . . . . 3.25 111.737 -174.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -118.48 -31.08 5.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.199 0.815 . . . . 2.33 113.199 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 5.5 m-20 -105.74 -33.65 7.95 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.161 -0.615 . . . . 1.87 112.345 -175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 95.3 mt -101.52 5.0 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.103 0.478 . . . . 0.44 111.399 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 29.9 pt20 -51.56 -23.19 3.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.261 -0.881 . . . . 1.46 113.087 -174.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.499 ' HB3' ' OE2' ' A' ' 9' ' ' GLU . 51.2 t30 -106.97 -39.11 5.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.193 0.521 . . . . 2.14 110.414 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.443 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -73.69 -35.71 65.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.565 0.698 . . . . 1.92 109.565 179.234 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.8 mt -110.61 22.26 15.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.041 -0.981 . . . . 0.61 110.608 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 10.7 ptpp? -48.54 -39.8 24.72 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.128 0.268 . . . . 2.15 111.666 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.461 ' HZ2' ' HB2' ' B' ' 51' ' ' LYS . 1.3 mtmp? -58.22 -43.23 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.298 0.57 . . . . 1.25 110.779 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.54 -33.17 64.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.495 -0.775 . . . . 2.13 110.334 175.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.403 ' HB3' ' HA ' ' B' ' 50' ' ' LYS . 6.5 t30 -63.67 -16.69 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.296 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.3 mtpp -81.94 -6.25 58.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.025 -0.534 . . . . 3.34 110.822 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -139.52 143.31 37.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.075 -0.713 . . . . 1.92 109.075 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.49 -29.16 15.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 2.46 110.553 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.2 -26.74 65.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 2.5 110.579 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.64 -37.1 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.408 -0.589 . . . . 0.66 109.408 174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' B' ' 63' ' ' MET . 29.3 mm -64.49 -37.68 80.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.05 109.533 175.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.62 -34.88 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.847 -0.615 . . . . 1.85 111.065 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 22.4 m-70 -65.83 -49.39 68.39 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.984 -0.286 . . . . 1.87 111.159 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 78.3 mt -58.56 -39.19 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.794 0.807 . . . . 1.18 109.127 174.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.563 ' HB2' ' O ' ' B' ' 59' ' ' ILE . 0.0 OUTLIER -60.66 -48.87 79.87 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 113.324 -1.762 . . . . 1.05 111.828 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 40.2 mt-10 -111.56 -29.65 7.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 115.41 -2.516 . . . . 2.36 111.02 -167.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 58.9 m-20 -57.11 -33.59 67.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.978 -0.689 . . . . 1.93 109.521 170.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.662 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 55.4 mt -94.95 -13.3 25.47 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.875 0.694 . . . . 1.26 112.875 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.561 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.0 t0 -59.41 87.55 0.01 OUTLIER 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.507 1.146 . . . . 1.4 110.009 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.94 -24.17 64.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 113.158 -1.837 . . . . 1.98 111.324 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -88.04 -5.25 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.143 -0.688 . . . . 2.25 109.143 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.26 26.58 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.602 -1.181 . . . . 1.14 112.653 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 35.6 m-20 -116.55 17.16 15.45 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.496 -0.32 . . . . 1.95 111.347 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.561 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.18 40.32 5.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.288 -1.005 . . . . 1.64 108.288 -174.076 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.604 ' HB3' ' CB ' ' B' ' 31' ' ' THR . 99.0 mt-30 -142.85 138.39 30.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.291 -1.322 . . . . 1.59 110.089 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.701 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 14.3 mt -101.57 116.05 31.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.332 -0.394 . . . . 0.7 110.594 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -78.93 160.82 27.08 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 109.679 -0.489 . . . . 1.41 109.679 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -50.67 -36.34 35.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.694 0.283 . . . . 3.06 111.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.34 -30.35 63.27 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.535 -0.302 . . . . 2.04 110.944 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.701 ' OE1' ' HB3' ' B' ' 74' ' ' LEU . 8.5 tm-20 -74.59 -50.82 16.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.171 -0.612 . . . . 3.18 109.838 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 83' ' ' MET . 88.3 t80 -57.64 -38.66 75.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.308 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.825 HG21 ' HB2' ' A' ' 84' ' ' ALA . 1.7 tp -68.1 -45.15 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.613 -0.721 . . . . 2.0 109.949 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -36.25 73.58 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.921 0.391 . . . . 2.01 110.767 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.87 -38.18 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.763 . . . . 1.38 108.941 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 30.7 mmt -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.736 -0.666 . . . . 0.91 110.288 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.83 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.92 -44.64 54.45 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.868 0.366 . . . . 0.35 110.722 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' B' ' 85' ' ' ARG . 46.8 mtt180 -59.03 -37.39 76.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.92 -0.77 . . . . 1.67 108.92 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.33 -31.89 64.26 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.728 -1.124 . . . . 1.68 110.526 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.3 m -64.03 -48.05 77.83 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.962 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -83.35 -37.53 23.23 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 3.49 110.363 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -51.09 56.79 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 120.439 -0.505 . . . . 1.18 111.15 -174.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 93.7 p -80.15 -44.23 20.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.008 -0.677 . . . . 1.74 111.644 -174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.03 -42.99 22.69 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.978 -0.555 . . . . 3.33 110.229 -166.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 N--CA 1.437 -1.098 0 C-N-CA 119.858 -0.737 . . . . 3.29 112.434 -176.541 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.786 0.662 . . . . 2.68 112.786 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.511 ' HB3' ' OD2' ' B' ' 44' ' ' ASP . 18.9 t -87.01 179.51 6.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.266 -0.879 . . . . 1.22 110.57 -177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.33 -48.04 80.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.525 0.565 . . . . 2.47 112.525 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 12' ' ' ILE . 13.4 tp -67.38 -44.0 80.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.908 -0.775 . . . . 1.81 108.908 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.673 ' CD ' ' HB2' ' B' ' 48' ' ' PHE . 3.9 tp10 -55.96 -50.73 69.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.624 -1.171 . . . . 2.29 111.668 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' SER . 88.9 mtt180 -60.29 -37.72 81.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.824 -0.625 . . . . 3.54 109.983 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.542 ' O ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -69.1 -37.46 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.827 . . . . 1.71 111.1 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -62.12 -47.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 110.061 -0.348 . . . . 0.32 110.061 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -41.94 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 1.95 111.112 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.1 m -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.366 0.603 . . . . 0.44 110.164 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' B' ' 15' ' ' ILE . 4.1 mt -64.57 -49.3 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.42 110.762 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' OG ' ' B' ' 90' ' ' SER . 93.3 mt -62.35 -39.64 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.42 110.697 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.703 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.2 m-80 -59.72 -40.62 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.392 -0.367 . . . . 1.76 110.589 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.708 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 73.1 m -63.43 -49.64 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.341 -0.391 . . . . 0.8 110.588 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' ' HE1' ' A' ' 79' ' ' PHE . 10.5 m-30 -58.99 -52.54 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.877 0.37 . . . . 3.66 110.686 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 1.2 p-80 -71.07 -20.92 62.31 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 112.768 0.655 . . . . 2.82 112.768 -174.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 18' ' ' THR . 2.6 pt20 -73.54 -32.31 64.13 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.678 0.672 . . . . 1.45 110.225 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 18' ' ' THR . 79.6 m-85 -78.82 -33.73 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 1.4 110.594 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 57.5 p -79.62 -30.09 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.023 0.439 . . . . 1.04 111.032 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 6.0 p -66.4 -7.0 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.054 -0.521 . . . . 0.69 111.265 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 69.1 mttm -61.52 -29.02 69.73 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.396 -0.366 . . . . 2.17 110.067 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.71 13.11 15.05 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.851 0.686 . . . . 2.04 112.851 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.45 -121.26 6.91 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.506 -0.854 . . . . 1.43 111.368 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -60.5 122.13 65.47 Favored Pre-proline 0 CA--C 1.519 -0.226 0 N-CA-C 106.078 -1.823 . . . . 3.7 106.078 165.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HB2' ' OG ' ' A' ' 23' ' ' SER . 29.8 Cg_endo -76.65 62.02 7.06 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 C-N-CA 120.62 0.88 . . . . 2.64 113.235 -153.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -32.33 69.93 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 120.853 1.661 . . . . 2.56 113.141 -149.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.586 HG21 ' OE1' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -155.44 167.43 30.4 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 125.086 1.354 . . . . 1.4 108.495 -172.058 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.36 117.22 31.11 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.808 -1.182 . . . . 0.73 107.808 160.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.574 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 2.5 m-20 -85.41 -179.46 6.95 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.348 -0.941 . . . . 2.37 109.634 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.961 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 46.7 tt0 -50.15 -43.04 51.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.651 0.612 . . . . 1.42 112.651 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.05 -41.41 40.08 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.62 -0.8 . . . . 0.44 111.917 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.574 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 4.0 mp0 -67.33 -41.05 85.87 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.074 -0.563 . . . . 2.0 110.162 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' HE2' ' O ' ' A' ' 59' ' ' ILE . 58.0 t80 -64.86 -49.98 68.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.846 . . . . 1.47 110.897 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -53.36 -45.47 69.18 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.025 -0.534 . . . . 1.38 110.703 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 24.8 tt0 -69.53 -44.69 70.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 1.74 111.677 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.46 -49.86 73.38 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -59.75 -37.13 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.398 0.618 . . . . 0.4 110.688 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 ttm180 -73.3 -29.96 63.07 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.539 -0.755 . . . . 3.25 111.947 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 56.5 mmtt -95.06 -50.52 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.265 0.468 . . . . 2.33 112.265 -172.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.623 ' CG ' ' HB3' ' B' ' 8' ' ' LEU . 1.9 t70 -103.18 -42.71 5.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.98 -0.688 . . . . 1.88 111.386 -172.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 89.8 mt -78.78 3.1 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.44 109.948 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 9.9 pt20 -51.0 -21.95 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.908 -1.042 . . . . 1.46 111.412 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' B' ' 9' ' ' GLU . 7.4 p30 -103.14 -47.08 4.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.617 -0.265 . . . . 2.14 110.762 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.669 ' HB2' ' CD ' ' B' ' 9' ' ' GLU . 15.5 t80 -68.66 -35.26 77.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 122.057 0.932 . . . . 1.91 109.435 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD12 HG13 ' A' ' 41' ' ' VAL . 62.9 mt -108.22 23.78 13.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.568 -1.196 . . . . 0.61 110.041 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 18.8 ptpt -47.5 -50.25 23.83 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.319 0.387 . . . . 2.16 111.687 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -65.81 -32.15 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.357 0.599 . . . . 1.25 110.742 -176.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.718 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 34.3 tt0 -76.42 -33.77 58.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.13 110.407 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -69.38 -16.3 63.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.525 -0.761 . . . . 1.7 110.334 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.1 mtpp -82.2 -8.51 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 3.34 110.892 -177.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.63 146.33 50.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.072 0.463 . . . . 1.92 110.078 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -84.93 -44.46 13.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 2.46 111.367 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -67.37 -24.35 65.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 2.5 111.633 -173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 4.0 t -72.85 -40.41 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.568 . . . . 0.66 109.465 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' HE2' ' A' ' 37' ' ' PHE . 19.7 mm -61.74 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.678 -0.86 . . . . 1.05 108.678 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 63' ' ' MET . 43.9 mt-10 -61.43 -34.55 75.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.736 -0.665 . . . . 1.86 111.344 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -60.12 -51.27 70.31 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.992 -0.283 . . . . 1.87 110.576 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 50.0 mt -69.32 -33.15 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.754 0.788 . . . . 1.18 109.936 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.961 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.6 tpt -53.51 -38.18 63.47 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.493 -1.685 . . . . 1.05 111.462 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 4.4 tm-20 -120.91 -29.92 4.51 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 114.673 -2.811 . . . . 2.37 110.988 -172.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.88 -33.93 69.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.05 -0.66 . . . . 1.93 110.235 172.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.97 -18.77 31.68 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.08 -0.388 . . . . 1.26 112.031 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 11.4 t70 -64.27 77.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 122.288 1.042 . . . . 1.39 110.949 -176.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -71.56 -21.84 61.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.858 -1.519 . . . . 1.98 110.001 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.23 -3.63 58.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.159 -0.682 . . . . 2.25 109.159 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.37 25.45 6.02 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.48 -1.237 . . . . 1.15 113.689 168.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 2.7 t70 -120.7 17.96 11.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.331 . . . . 1.95 110.703 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' NZ ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.2 2.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.071 -1.085 . . . . 1.64 108.071 -171.208 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.586 ' OE1' HG21 ' A' ' 31' ' ' THR . 76.3 mt-30 -141.06 143.21 34.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.853 -1.521 . . . . 1.59 109.528 -173.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 52.5 mt -122.06 112.82 18.71 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.283 -0.636 . . . . 0.7 109.283 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -74.43 166.32 23.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.489 -0.93 . . . . 1.42 108.489 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 25.0 p90 -51.01 -38.26 50.22 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.015 -0.274 . . . . 3.07 111.566 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.597 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.4 mt-10 -64.17 -41.33 97.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.73 0.3 . . . . 2.03 111.637 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.14 -44.16 63.56 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.457 0.646 . . . . 3.18 110.491 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.516 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 46.4 t80 -71.78 -28.35 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.141 -0.481 . . . . 3.12 110.955 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.9 tp -67.82 -37.29 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 2.0 109.338 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.49 -35.46 68.02 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.28 -0.418 . . . . 2.01 110.073 172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.1 tt -58.3 -41.8 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.435 -0.58 . . . . 1.38 109.435 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.476 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 34.5 mmt -59.14 -25.52 63.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 0.91 110.749 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.724 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.59 -35.34 60.6 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.951 0.405 . . . . 0.35 110.454 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.26 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.704 -0.85 . . . . 1.67 108.704 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 48' ' ' PHE . 31.4 mt -67.16 -34.24 77.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.057 -0.974 . . . . 1.68 109.871 175.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.409 ' HA ' HD13 ' B' ' 16' ' ' ILE . 52.5 m -65.04 -36.1 83.28 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.867 -0.333 . . . . 0.48 110.841 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.694 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.4 t-105 -66.17 -37.2 85.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.06 -0.656 . . . . 3.49 109.577 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.04 91.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 1.18 110.839 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.582 ' OG ' HD13 ' B' ' 16' ' ' ILE . 13.0 p -72.18 -23.89 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 1.74 110.939 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 33.1 t-80 -65.42 -33.25 75.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 3.33 109.194 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.694 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 7.0 mm-40 . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.136 -0.938 . . . . 3.3 109.894 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 112.676 0.621 . . . . 2.68 112.676 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.52 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 20.2 t -87.25 179.37 6.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 1.22 110.459 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.06 -48.05 79.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.676 0.621 . . . . 2.47 112.676 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.697 ' O ' HG13 ' B' ' 12' ' ' ILE . 13.4 tp -67.32 -44.04 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.966 -0.753 . . . . 1.81 108.966 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.669 ' CD ' ' HB2' ' A' ' 48' ' ' PHE . 3.9 tp10 -55.98 -50.73 70.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.584 -1.189 . . . . 2.28 111.775 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 6' ' ' SER . 89.2 mtt180 -60.19 -37.87 81.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.802 -0.635 . . . . 3.54 109.89 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.541 ' O ' HG13 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -69.02 -37.43 78.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 1.7 111.132 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.697 HG13 ' O ' ' B' ' 8' ' ' LEU . 58.3 mt -62.2 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 110.062 -0.347 . . . . 0.33 110.062 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.386 . . . . 1.95 111.077 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.1 m -63.77 -37.78 88.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.285 0.564 . . . . 0.44 110.065 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' A' ' 15' ' ' ILE . 4.1 mt -64.47 -49.46 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.72 -0.673 . . . . 0.42 110.674 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.582 HD13 ' OG ' ' A' ' 90' ' ' SER . 93.6 mt -62.45 -39.5 84.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.688 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.694 ' HA ' ' CE1' ' B' ' 20' ' ' HIS . 10.3 m-80 -59.66 -40.72 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.42 -0.355 . . . . 1.76 110.627 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 69.5 m -63.52 -49.53 73.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.357 -0.383 . . . . 0.8 110.582 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' HE1' ' B' ' 79' ' ' PHE . 10.6 m-30 -58.96 -52.49 65.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 3.66 110.69 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 1.2 p-80 -71.08 -20.91 62.3 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 112.776 0.658 . . . . 2.83 112.776 -174.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' B' ' 18' ' ' THR . 2.6 pt20 -73.63 -32.29 63.97 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.647 0.658 . . . . 1.45 110.266 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' B' ' 18' ' ' THR . 79.4 m-85 -78.86 -33.72 45.64 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.27 -0.572 . . . . 1.4 110.641 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 57.8 p -79.48 -30.24 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.04 111.043 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' B' ' 20' ' ' HIS . 5.9 p -66.64 -6.25 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.075 -0.511 . . . . 0.69 111.309 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 69.0 mttm -62.14 -28.78 69.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.343 -0.39 . . . . 2.17 110.119 178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.97 13.16 15.45 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.884 0.698 . . . . 2.04 112.884 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.18 -121.21 6.93 Favored Glycine 0 N--CA 1.461 0.313 0 C-N-CA 120.605 -0.807 . . . . 1.43 111.322 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -60.92 122.11 66.72 Favored Pre-proline 0 CA--C 1.519 -0.234 0 N-CA-C 106.068 -1.827 . . . . 3.7 106.068 166.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.518 ' HB2' ' OG ' ' B' ' 23' ' ' SER . 30.3 Cg_endo -76.45 61.78 6.84 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 C-N-CA 120.63 0.887 . . . . 2.64 113.333 -153.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -70.44 -32.26 69.77 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 120.913 1.688 . . . . 2.56 113.129 -148.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.602 HG21 ' OE1' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -155.59 167.25 30.98 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 125.121 1.368 . . . . 1.4 108.458 -171.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.18 117.26 30.98 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.794 -1.187 . . . . 0.73 107.794 160.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.573 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 2.5 m-20 -85.02 -179.43 7.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.485 -0.886 . . . . 2.37 109.733 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.97 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 46.4 tt0 -50.3 -42.95 53.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.507 0.558 . . . . 1.42 112.507 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.12 -41.07 40.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.447 -0.882 . . . . 0.44 111.974 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.573 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.7 mp0 -67.66 -41.02 84.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 2.01 110.14 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.437 ' HE2' ' O ' ' B' ' 59' ' ' ILE . 57.8 t80 -64.89 -49.85 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.461 -0.79 . . . . 1.47 110.924 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 87.3 mttt -53.5 -45.37 69.65 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.39 110.652 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 24.3 tt0 -69.68 -44.56 70.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 1.75 111.785 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.56 -49.91 73.43 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.463 -0.569 . . . . 1.43 109.463 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.0 t -59.78 -37.02 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.439 0.638 . . . . 0.4 110.735 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.582 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 40.7 ttm180 -73.28 -30.14 63.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.513 -0.767 . . . . 3.25 111.815 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 56.6 mmtt -94.92 -50.57 5.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.275 0.472 . . . . 2.33 112.275 -172.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.624 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 1.9 t70 -103.11 -42.44 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.09 -0.644 . . . . 1.87 111.456 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 90.0 mt -78.95 3.1 18.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.341 0.591 . . . . 0.44 109.926 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 9.9 pt20 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.94 -1.027 . . . . 1.46 111.536 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' A' ' 9' ' ' GLU . 7.4 p30 -102.83 -47.1 4.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.445 -0.343 . . . . 2.14 110.857 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.673 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 15.6 t80 -68.68 -35.41 77.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 122.056 0.932 . . . . 1.92 109.517 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.41 HD12 HG13 ' B' ' 41' ' ' VAL . 62.8 mt -108.0 23.81 13.91 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.392 -1.276 . . . . 0.61 110.024 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 18.8 ptpt -47.46 -50.46 23.0 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.255 0.347 . . . . 2.15 111.643 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.713 ' HD2' ' N ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -65.83 -31.99 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.474 0.654 . . . . 1.25 110.688 -176.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.713 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 34.6 tt0 -76.52 -33.93 58.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.121 -0.945 . . . . 2.13 110.41 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.25 -16.31 63.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.524 -0.762 . . . . 1.7 110.461 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.1 mtpp -82.37 -8.07 59.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.599 -0.728 . . . . 3.34 110.99 -177.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -127.72 146.72 50.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 1.92 110.089 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.33 -44.69 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.037 -0.529 . . . . 2.46 111.342 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -67.41 -24.28 65.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.766 -0.652 . . . . 2.5 111.736 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 4.0 t -72.69 -40.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.566 -0.531 . . . . 0.66 109.566 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' B' ' 52' ' ' GLU . 19.1 mm -61.56 -40.39 86.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 N-CA-C 108.788 -0.819 . . . . 1.05 108.788 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 63' ' ' MET . 43.9 mt-10 -61.55 -34.65 75.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.7 -0.682 . . . . 1.85 111.214 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.87 -51.22 70.64 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 121.097 -0.241 . . . . 1.87 110.692 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.431 ' HA ' ' OD1' ' B' ' 65' ' ' ASP . 50.4 mt -69.46 -33.24 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.743 0.783 . . . . 1.18 109.961 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.97 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.6 tpt -53.36 -38.15 63.04 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.428 -1.715 . . . . 1.05 111.441 173.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 4.5 tm-20 -120.89 -30.08 4.49 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 114.527 -2.869 . . . . 2.36 110.937 -172.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -57.71 -34.28 69.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.219 173.074 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.62 -18.82 32.18 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 112.052 0.389 . . . . 1.26 112.052 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 11.4 t70 -64.25 78.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.445 1.117 . . . . 1.4 110.959 -176.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 31.2 m -71.7 -21.91 61.72 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.768 -1.56 . . . . 1.98 110.066 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.19 -3.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.043 -0.725 . . . . 2.25 109.043 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.42 25.42 6.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.531 -1.213 . . . . 1.14 113.541 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 2.5 t70 -120.59 18.14 12.02 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.113 -0.367 . . . . 1.95 110.714 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.0 2.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.069 -1.086 . . . . 1.64 108.069 -171.29 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.602 ' OE1' HG21 ' B' ' 31' ' ' THR . 76.3 mt-30 -141.1 143.14 34.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.956 -1.474 . . . . 1.59 109.613 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 52.2 mt -122.12 112.67 18.5 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.284 -0.635 . . . . 0.7 109.284 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -74.72 166.25 23.9 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.484 -0.932 . . . . 1.41 108.484 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.461 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 25.2 p90 -50.84 -38.37 48.6 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.688 0.255 . . . . 3.06 111.688 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.599 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.9 mt-10 -64.14 -41.31 97.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 2.04 111.632 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.07 -44.08 63.86 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.531 0.681 . . . . 3.18 110.553 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.515 ' HE1' ' CE2' ' B' ' 19' ' ' PHE . 46.5 t80 -71.84 -28.27 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.07 -0.513 . . . . 3.12 110.993 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.9 tp -67.94 -37.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.297 -0.631 . . . . 2.0 109.297 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.6 -35.48 68.3 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.989 0.423 . . . . 2.01 110.062 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 82' ' ' LEU . 3.1 tt -58.33 -41.79 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.428 -0.582 . . . . 1.38 109.428 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.478 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 34.5 mmt -59.17 -25.54 64.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.91 110.752 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.62 -35.21 60.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.878 0.37 . . . . 0.35 110.508 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.37 -39.11 92.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.837 -0.801 . . . . 1.67 108.837 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 48' ' ' PHE . 31.8 mt -67.27 -34.27 77.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.034 -0.984 . . . . 1.68 109.793 174.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.418 ' HA ' HD13 ' A' ' 16' ' ' ILE . 51.9 m -64.9 -36.19 83.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.825 -0.35 . . . . 0.48 110.833 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.693 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t-105 -66.25 -36.98 84.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.114 -0.634 . . . . 3.49 109.534 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.93 90.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.89 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 16' ' ' ILE . 12.9 p -72.26 -23.84 61.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.774 0.321 . . . . 1.74 110.912 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 33.5 t-80 -65.5 -33.16 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.606 0.717 . . . . 3.33 109.201 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 6.9 mm-40 . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 115.066 -0.97 . . . . 3.29 109.949 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.439 ' HB3' ' HB2' ' A' ' 9' ' ' GLU . 66.3 mtm . . . . . 0 C--O 1.235 0.305 0 CA-C-O 121.352 0.596 . . . . 2.68 111.263 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -75.39 178.38 5.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.783 -1.099 . . . . 1.22 110.874 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.78 -45.28 78.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.385 -0.371 . . . . 2.47 110.4 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' ILE . 14.5 tp -65.81 -45.76 81.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.118 -0.492 . . . . 1.81 110.445 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.685 ' OE1' ' HA ' ' B' ' 45' ' ' LEU . 4.5 mm-40 -57.44 -51.32 69.91 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 2.29 110.854 -174.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.79 -38.52 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.434 -0.803 . . . . 3.54 110.951 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.64 -40.28 76.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 1.71 110.664 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.0 mt -62.66 -47.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.32 110.034 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.68 -35.66 72.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.785 -0.643 . . . . 1.95 111.555 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -66.4 -39.01 88.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.192 0.52 . . . . 0.44 110.495 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 66.4 mt -67.38 -48.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 0.42 110.39 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 12' ' ' ILE . 67.0 mt -60.41 -36.94 72.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.591 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.85 -39.69 83.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.684 -0.234 . . . . 1.76 111.151 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 55.6 m -62.56 -44.47 96.25 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.315 -0.624 . . . . 0.8 109.315 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.87 -49.08 69.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.546 -0.752 . . . . 3.66 109.817 170.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -55.58 -50.85 68.99 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.883 -0.599 . . . . 2.82 112.313 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.2 pt20 -61.67 -37.56 84.53 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.201 -0.2 . . . . 1.45 111.067 -173.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.89 -38.74 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.705 -0.398 . . . . 1.4 111.283 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.818 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 36.8 p -69.99 -38.66 76.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.496 0.665 . . . . 1.04 110.741 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.8 p -72.11 -3.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.281 -0.872 . . . . 0.69 111.452 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 48.0 mtpt -63.97 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 2.17 109.754 174.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tt -88.17 -23.51 23.59 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.683 -0.69 . . . . 2.04 111.062 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -105.21 1.04 Allowed Glycine 0 C--O 1.228 -0.263 0 N-CA-C 111.44 -0.664 . . . . 1.43 111.44 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.98 95.34 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.212 0 N-CA-C 106.759 -1.571 . . . . 3.7 106.759 166.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.818 ' O ' ' HB2' ' A' ' 23' ' ' SER . 62.8 Cg_endo -74.7 31.55 0.35 Allowed 'Trans proline' 0 C--O 1.219 -0.441 0 N-CA-C 116.319 1.623 . . . . 2.64 116.319 -151.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 5.81 2.2 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.282 2.764 . . . . 2.56 113.87 -146.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -156.74 163.7 38.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.493 0.717 . . . . 1.4 110.771 -174.314 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.22 123.97 42.57 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.33 -0.989 . . . . 0.73 108.33 160.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.83 173.49 12.55 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.812 -0.755 . . . . 2.37 109.672 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 40.2 tt0 -50.66 -44.26 57.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.365 0.416 . . . . 1.42 111.081 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.15 70.36 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.639 -0.791 . . . . 0.44 111.593 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 1.2 mp0 -69.29 -43.36 73.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.576 -0.312 . . . . 2.0 111.172 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.07 -49.46 69.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.82 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 44.3 mtpt -64.25 -33.53 76.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.399 . . . . 1.38 110.481 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' HE2' ' A' ' 43' ' ' LYS . 34.2 tt0 -69.81 -45.45 67.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.647 -0.706 . . . . 1.74 110.411 177.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.21 -46.85 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.43 109.728 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 70.2 t -59.39 -37.43 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.4 110.565 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 14.2 ttm180 -72.94 -28.3 62.35 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.99 -0.55 . . . . 3.25 111.701 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 39' ' ' GLU . 66.7 mttm -104.72 -45.96 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.314 0.857 . . . . 2.33 113.314 -173.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -43.67 7.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.049 -0.66 . . . . 1.88 111.494 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 59.9 mt -86.96 3.08 47.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.932 0.396 . . . . 0.44 110.614 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 10.4 pt20 -52.25 -24.38 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.64 . . . . 1.46 111.609 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -94.88 -48.51 5.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.374 -0.375 . . . . 2.14 110.465 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.657 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -76.23 -35.41 59.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 1.91 110.344 -175.493 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 mt -99.23 26.54 5.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 0.61 110.024 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.12 -57.31 3.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.0 -0.545 . . . . 2.16 111.713 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.43 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.779 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 0.7 OUTLIER -73.11 -38.03 66.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 2.13 110.557 176.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -15.69 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.614 0.721 . . . . 1.7 110.177 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -82.03 -3.66 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.167 -0.924 . . . . 3.34 110.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -131.27 169.75 15.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 1.92 110.399 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -109.39 -49.56 3.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 2.46 110.001 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.06 -31.0 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.788 -0.642 . . . . 2.5 111.589 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 23.1 t -64.53 -35.81 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.43 -0.35 . . . . 0.66 110.317 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.411 HD12 HG11 ' A' ' 41' ' ' VAL . 11.5 mm -70.58 -35.83 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 1.05 109.663 178.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.4 -36.68 83.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.179 -0.464 . . . . 1.86 110.931 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -67.53 -48.5 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 1.87 110.32 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.32 -33.87 63.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.356 0.598 . . . . 1.18 109.83 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.41 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 13.7 tpt -60.8 -52.6 64.39 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 114.565 -1.198 . . . . 1.05 111.586 176.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.0 tt0 -99.13 -28.26 13.45 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 113.665 -3.214 . . . . 2.37 108.842 -159.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.099 -0.64 . . . . 1.93 110.395 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 57.2 mt -74.72 -30.62 61.58 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.9 -0.32 . . . . 1.26 111.427 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 32.9 t0 -63.69 78.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.834 0.854 . . . . 1.39 111.43 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.2 m -63.49 -26.3 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.013 -0.994 . . . . 1.98 111.001 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.58 -4.46 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.471 -0.566 . . . . 2.25 109.471 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.55 25.64 4.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.79 -1.096 . . . . 1.15 112.814 172.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.61 22.87 11.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 1.95 111.109 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.96 41.96 4.49 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.616 -0.883 . . . . 1.64 108.616 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 92.6 mt-30 -141.74 142.0 33.27 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.467 -1.242 . . . . 1.59 110.257 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 42.0 mt -119.18 113.36 20.77 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.948 -0.76 . . . . 0.7 108.948 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.489 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 7.7 t -77.74 172.15 13.86 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.757 -1.201 . . . . 1.42 107.757 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.511 ' CB ' HG21 ' B' ' 87' ' ' THR . 1.4 p90 -53.84 -39.93 66.04 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.702 0.63 . . . . 3.07 112.702 -175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.1 mt-10 -67.39 -36.16 80.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.971 0.415 . . . . 2.03 110.86 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 mp0 -69.83 -46.22 66.09 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.505 0.669 . . . . 3.18 109.906 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 60.7 t80 -68.68 -29.2 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.672 . . . . 3.12 111.105 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.45 -40.21 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.422 -0.511 . . . . 2.0 110.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.53 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 89.4 mmm -55.21 -31.88 61.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 2.01 111.328 170.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.7 tm? -62.75 -39.21 93.43 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.631 -0.507 . . . . 1.38 109.631 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.6 mmt -60.23 -30.62 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.91 109.958 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.76 -30.61 59.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.35 110.607 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' MET . 32.0 mtp85 -68.12 -36.44 79.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.645 0.736 . . . . 1.67 109.128 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.91 -30.28 70.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.126 -0.943 . . . . 1.68 109.411 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.51 HG21 ' CB ' ' B' ' 76' ' ' PHE . 76.7 m -70.86 -26.36 63.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.562 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.3 m0 -66.06 -36.04 82.16 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.388 -0.967 . . . . 3.49 108.388 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -63.48 -46.03 88.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.914 -1.039 . . . . 1.18 110.508 175.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -77.06 -1.54 29.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.219 -0.446 . . . . 1.74 111.876 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 39.5 t-80 -80.62 -40.93 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 3.33 108.284 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 2.6 pt-20 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 114.635 -1.166 . . . . 3.3 110.105 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' B' ' 9' ' ' GLU . 65.6 mtm . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 121.286 0.565 . . . . 2.68 111.183 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -75.31 178.52 5.77 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.798 -1.092 . . . . 1.22 110.958 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.88 -45.31 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.302 -0.408 . . . . 2.47 110.271 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.546 ' O ' HG13 ' B' ' 12' ' ' ILE . 14.4 tp -65.84 -45.77 80.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.81 110.541 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.701 ' OE1' ' HA ' ' A' ' 45' ' ' LEU . 4.4 mm-40 -57.32 -51.32 69.85 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.261 0.553 . . . . 2.28 110.876 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -60.81 -38.54 85.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 3.54 110.958 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.7 -40.22 76.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 1.7 110.552 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.546 HG13 ' O ' ' B' ' 8' ' ' LEU . 84.1 mt -62.83 -47.83 90.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.394 . . . . 0.33 109.973 177.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.68 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 1.95 111.66 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.1 m -66.48 -39.17 88.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.128 0.489 . . . . 0.44 110.478 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 66.1 mt -67.32 -48.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.42 110.368 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 12' ' ' ILE . 67.2 mt -60.41 -36.85 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.679 -0.691 . . . . 0.42 110.634 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -67.84 -39.94 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.629 -0.259 . . . . 1.76 111.118 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 54.2 m -62.33 -44.63 96.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.285 -0.635 . . . . 0.8 109.285 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -53.86 -48.93 69.51 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.493 -0.776 . . . . 3.66 109.858 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -55.73 -50.82 69.33 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.964 -0.562 . . . . 2.83 112.287 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 18' ' ' THR . 21.2 pt20 -61.65 -37.54 84.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.179 -0.208 . . . . 1.45 111.017 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.01 -38.58 36.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.64 -0.424 . . . . 1.4 111.261 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.812 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 36.9 p -70.08 -38.74 75.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.488 0.661 . . . . 1.04 110.623 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.561 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.8 p -72.12 -4.18 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.376 -0.829 . . . . 0.69 111.411 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 47.9 mtpt -63.88 -22.43 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 2.17 109.678 174.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.32 -23.48 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.667 -0.697 . . . . 2.04 111.119 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.68 -105.25 1.04 Allowed Glycine 0 C--O 1.229 -0.171 0 N-CA-C 111.379 -0.688 . . . . 1.43 111.379 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.93 95.42 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.205 0 N-CA-C 106.721 -1.585 . . . . 3.7 106.721 166.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' B' ' 23' ' ' SER . 61.8 Cg_endo -74.73 31.69 0.35 Allowed 'Trans proline' 0 C--O 1.22 -0.4 0 N-CA-C 116.316 1.622 . . . . 2.64 116.316 -151.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.71 5.82 2.28 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 123.386 2.812 . . . . 2.56 113.74 -146.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.6 OUTLIER -156.67 163.62 39.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.476 0.71 . . . . 1.4 110.88 -174.28 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.27 124.04 42.68 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.309 -0.997 . . . . 0.73 108.309 160.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -80.96 173.15 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.778 -0.769 . . . . 2.37 109.626 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 39.9 tt0 -50.25 -44.16 53.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.91 0.386 . . . . 1.42 111.19 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.26 -35.19 69.75 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.646 -0.788 . . . . 0.44 111.647 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' B' ' 25' ' ' LYS . 1.3 mp0 -69.47 -43.29 73.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.343 . . . . 2.01 111.149 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 41' ' ' VAL . 55.0 t80 -65.02 -49.56 69.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.825 -177.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 34' ' ' GLN . 44.0 mtpt -64.05 -33.56 76.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.901 0.381 . . . . 1.39 110.5 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.414 ' HG3' ' HE2' ' B' ' 43' ' ' LYS . 34.2 tt0 -69.71 -45.49 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.723 -0.671 . . . . 1.75 110.477 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.36 -46.77 85.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 1.43 109.74 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.5 t -59.33 -37.39 69.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.81 -0.632 . . . . 0.4 110.593 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.665 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 14.3 ttm180 -73.0 -28.46 62.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 3.25 111.674 -175.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.414 ' HE2' ' HG3' ' B' ' 39' ' ' GLU . 66.7 mttm -104.62 -45.98 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.34 0.867 . . . . 2.33 113.34 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.41 -43.78 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.064 -0.654 . . . . 1.87 111.518 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.685 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 60.9 mt -86.9 2.97 47.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 0.44 110.665 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.665 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 10.2 pt20 -52.3 -24.12 6.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.747 -0.66 . . . . 1.46 111.643 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' B' ' 47' ' ' ASN . 3.0 t-20 -94.99 -48.53 5.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.342 -176.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.647 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -76.18 -35.45 59.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.339 0.59 . . . . 1.92 110.361 -175.425 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -99.27 26.66 5.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.393 -0.821 . . . . 0.61 110.022 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.22 -57.38 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.657 0.598 . . . . 2.15 111.718 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 1.25 111.68 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.467 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -73.13 -37.99 66.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.376 . . . . 2.13 110.626 176.296 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -69.71 -15.68 63.2 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.63 0.728 . . . . 1.7 110.116 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -81.97 -3.98 55.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.173 -0.921 . . . . 3.34 110.127 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -131.02 169.88 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.92 110.305 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -109.56 -49.45 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.923 -0.581 . . . . 2.46 110.035 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -62.15 -31.06 71.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 2.5 111.571 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 22.8 t -64.43 -35.96 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.98 0.419 . . . . 0.66 110.322 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.408 HD12 HG11 ' B' ' 41' ' ' VAL . 11.6 mm -70.55 -35.91 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.577 -0.527 . . . . 1.05 109.577 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.41 -36.77 83.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.112 0.482 . . . . 1.85 110.809 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -67.56 -48.33 67.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 1.87 110.372 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 58' ' ' VAL . 59.1 mt -63.44 -33.71 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 1.18 109.942 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.42 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 13.7 tpt -60.87 -52.58 64.47 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 114.528 -1.214 . . . . 1.05 111.699 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.521 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 26.5 tt0 -99.22 -28.12 13.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 113.671 -3.212 . . . . 2.36 108.764 -159.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.68 -38.0 71.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.262 -0.575 . . . . 1.93 110.495 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' B' ' 78' ' ' GLU . 56.7 mt -75.04 -30.67 61.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.958 -0.297 . . . . 1.26 111.412 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 31.2 t0 -63.68 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.076 0.86 . . . . 1.4 111.277 -175.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.6 m -64.29 -26.57 68.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.904 -1.044 . . . . 1.98 110.961 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -87.47 -4.29 59.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 2.25 109.523 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.78 25.65 5.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.029 -0.987 . . . . 1.14 112.758 171.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.75 22.88 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.5 -0.318 . . . . 1.95 111.205 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.95 41.95 4.52 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.591 -0.892 . . . . 1.64 108.591 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.464 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 92.7 mt-30 -141.72 142.42 33.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.374 -1.284 . . . . 1.59 110.122 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.42 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 41.7 mt -119.59 113.32 20.53 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.009 -0.737 . . . . 0.7 109.009 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' SER . . . . . 0.476 ' HB3' ' OE2' ' B' ' 78' ' ' GLU . 7.6 t -77.68 171.98 14.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.876 -1.157 . . . . 1.41 107.876 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' A' ' 87' ' ' THR . 1.3 p90 -53.66 -40.06 65.57 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 112.612 0.597 . . . . 3.06 112.612 -175.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.483 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.0 mt-10 -67.56 -35.54 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 2.04 110.952 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' B' ' 75' ' ' SER . 1.4 mp0 -70.43 -46.18 64.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.593 0.711 . . . . 3.18 109.824 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.474 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 60.5 t80 -68.7 -29.15 67.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.635 -0.712 . . . . 3.12 111.134 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.56 -40.13 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.387 -0.525 . . . . 2.0 110.012 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 89.0 mmm -55.3 -31.76 61.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.52 0.2 . . . . 2.01 111.323 170.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.7 tm? -62.82 -39.17 93.49 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.625 -0.509 . . . . 1.38 109.625 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.5 mmt -60.3 -30.39 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.91 110.039 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.85 -30.65 58.99 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.687 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' B' ' 81' ' ' MET . 32.2 mtp85 -67.97 -36.74 80.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.664 0.745 . . . . 1.67 109.115 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.8 -30.15 70.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.155 -0.929 . . . . 1.68 109.445 171.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.511 HG21 ' CB ' ' A' ' 76' ' ' PHE . 77.3 m -70.91 -26.47 63.23 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.458 -0.497 . . . . 0.48 110.518 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.523 ' CD2' ' HA ' ' B' ' 85' ' ' ARG . 44.2 m0 -65.94 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.456 -0.942 . . . . 3.49 108.456 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -63.8 -45.92 87.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.911 -1.04 . . . . 1.18 110.49 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 36.8 m -76.92 -1.74 30.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.271 -0.422 . . . . 1.74 111.906 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -80.57 -40.99 24.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 3.33 108.316 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 2.7 pt-20 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.704 -1.134 . . . . 3.29 110.136 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.699 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 94.3 mtp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 113.537 0.94 . . . . 2.68 113.537 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -75.84 176.9 7.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.965 -1.471 . . . . 1.22 111.509 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.27 -48.38 80.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.109 0.481 . . . . 2.47 110.919 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' HG13 ' A' ' 12' ' ' ILE . 3.2 tm? -63.21 -43.67 97.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.139 -0.937 . . . . 1.81 109.13 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.699 ' OE1' ' HA ' ' A' ' 5' ' ' MET . 7.2 tt0 -63.19 -50.17 71.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.132 -1.395 . . . . 2.29 111.701 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HD2' ' HE1' ' A' ' 5' ' ' MET . 18.3 mmm180 -59.73 -35.39 74.46 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.954 -0.567 . . . . 3.54 111.176 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 95.6 m-20 -66.96 -37.56 84.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.871 -0.604 . . . . 1.71 110.841 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 28.7 mt -62.47 -49.51 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.32 109.965 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.6 -42.42 92.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.365 -0.834 . . . . 1.95 110.186 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -65.61 -41.62 92.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.839 -0.619 . . . . 0.44 110.919 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' B' ' 15' ' ' ILE . 8.7 mt -63.35 -47.08 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.321 -0.399 . . . . 0.42 110.664 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 12' ' ' ILE . 96.7 mt -56.44 -52.11 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 0.42 111.531 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.71 0.263 . . . . 1.76 111.71 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.756 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 84.0 m -71.02 -51.59 24.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.425 -0.51 . . . . 0.8 110.383 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HD2' HD11 ' A' ' 32' ' ' LEU . 38.3 m-85 -59.35 -42.33 91.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.034 0.445 . . . . 3.66 110.348 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 8.7 t-80 -70.66 -23.99 62.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.794 -0.639 . . . . 2.82 111.83 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.756 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.1 pt20 -73.59 -32.15 63.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.219 -0.66 . . . . 1.45 109.219 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 18' ' ' THR . 92.3 m-85 -79.59 -33.24 41.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.4 110.962 174.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 29' ' ' PRO . 84.7 p -66.63 -41.62 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.573 0.702 . . . . 1.04 109.19 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 28' ' ' HIS . 4.2 p -75.65 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.051 -0.977 . . . . 0.69 112.155 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 27.5 mtpp -58.92 -29.38 67.04 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.798 0.666 . . . . 2.17 112.798 -176.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 29' ' ' PRO . 25.1 tp -89.95 12.63 16.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.146 0.498 . . . . 2.04 111.095 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.09 -96.5 0.22 Allowed Glycine 0 N--CA 1.453 -0.223 0 N-CA-C 111.402 -0.679 . . . . 1.43 111.402 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.684 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 76.6 m-70 -131.32 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 113.431 0.9 . . . . 3.7 113.431 170.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 85.5 Cg_exo -56.48 166.37 3.6 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.55 2.167 . . . . 2.64 115.388 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.71 8.76 10.64 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.466 -2.152 . . . . 2.56 108.317 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -127.63 149.55 50.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.03 -1.441 . . . . 1.4 109.727 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD11 ' HD2' ' A' ' 19' ' ' PHE . 76.3 mt -91.88 118.77 31.04 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 108.195 -1.039 . . . . 0.73 108.195 169.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 1.7 m-20 -85.41 168.81 14.27 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.559 -0.904 . . . . 2.37 108.559 178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.901 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 29.8 tt0 -51.23 -40.17 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.413 0.523 . . . . 1.42 112.413 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.02 -41.91 38.68 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.668 -0.777 . . . . 0.44 111.931 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.523 ' OE2' ' HB2' ' A' ' 33' ' ' ASN . 4.9 mp0 -65.79 -40.79 92.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.181 -0.51 . . . . 2.0 110.732 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.31 -47.32 76.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.47 110.919 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 94.4 mttt -54.05 -48.31 70.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.781 0.324 . . . . 1.38 110.609 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.689 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 37.2 tt0 -64.66 -46.82 80.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.654 . . . . 1.74 110.751 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 19' ' ' PHE . 9.4 tt -57.44 -50.23 73.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 1.43 109.915 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 50.2 t -55.91 -37.1 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.903 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 79.7 mtt180 -70.46 -30.15 66.91 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.36 0.874 . . . . 3.25 113.36 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.48 -41.93 4.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.535 1.309 . . . . 2.33 114.535 -173.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . 2.0 p30 -106.8 -25.42 11.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.426 1.012 . . . . 1.88 113.059 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 96.2 mt -98.24 1.84 47.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.996 0.427 . . . . 0.44 110.357 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 14.8 pt20 -53.21 -21.22 4.88 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.318 0.858 . . . . 1.46 113.318 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.489 ' HB3' ' CD ' ' B' ' 9' ' ' GLU . 26.0 t-20 -95.35 -39.35 10.07 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.987 -0.445 . . . . 2.14 109.954 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.59 -35.65 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.482 0.658 . . . . 1.91 110.594 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 86' ' ' LEU . 87.8 mt -106.77 26.4 10.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.404 -0.817 . . . . 0.61 109.593 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 39.2 ttmt -46.0 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 2.16 112.952 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.14 -30.79 69.12 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.128 -0.629 . . . . 1.25 110.259 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 58' ' ' VAL . 15.5 mp0 -65.23 -37.69 88.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 2.13 111.551 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 46' ' ' GLN . 21.3 p30 -72.78 -14.64 61.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.919 0.39 . . . . 1.7 111.298 -170.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.36 -9.06 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.562 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -122.81 145.7 48.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 1.92 109.629 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 48.5 mt-10 -87.93 -39.95 14.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.219 -0.446 . . . . 2.46 110.641 -177.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.45 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.602 -0.726 . . . . 2.5 111.522 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG11 ' HG3' ' A' ' 52' ' ' GLU . 43.5 t -65.68 -41.75 91.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.66 110.278 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.488 HD12 HG11 ' A' ' 41' ' ' VAL . 19.0 mm -69.17 -35.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.562 -0.533 . . . . 1.05 109.562 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 47.8 mt-10 -59.54 -36.17 75.64 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.283 -0.417 . . . . 1.86 110.987 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -68.42 -49.01 63.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.631 -0.258 . . . . 1.87 110.702 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.06 -33.8 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 121.965 0.888 . . . . 1.18 109.568 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.901 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 11.2 tpt -60.31 -39.62 87.63 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 113.257 -1.792 . . . . 1.05 111.959 176.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 7.9 tm-20 -115.64 -27.7 7.01 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.313 -2.955 . . . . 2.37 109.668 -169.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -34.02 64.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.035 -0.266 . . . . 1.93 110.39 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -91.42 -11.8 36.61 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 112.588 0.588 . . . . 1.26 112.588 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.571 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 16.5 t0 -63.6 94.72 0.09 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.558 1.171 . . . . 1.39 111.84 -171.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.97 -45.64 42.36 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.67 -2.059 . . . . 1.98 113.136 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -96.71 -0.31 48.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.496 -0.32 . . . . 2.25 111.296 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.84 25.44 6.68 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.576 0.703 . . . . 1.15 110.347 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -117.45 19.62 13.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.047 -0.979 . . . . 1.95 109.372 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.8 48.15 1.94 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.748 -1.114 . . . . 1.64 110.118 -178.159 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -143.27 140.08 30.47 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.058 -0.974 . . . . 1.59 110.314 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' ASP . 32.1 mt -108.65 118.6 37.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.482 -0.326 . . . . 0.7 110.38 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 46.5 t -69.16 158.29 35.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.74 -0.837 . . . . 1.42 108.74 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 31.9 p90 -53.22 -38.96 63.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.962 0.41 . . . . 3.07 111.341 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' ILE . 11.0 mt-10 -59.89 -31.78 70.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.569 -0.741 . . . . 2.03 111.045 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 75' ' ' SER . 3.5 mp0 -86.05 -37.71 18.6 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.241 0.46 . . . . 3.18 112.241 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -73.0 -25.98 61.17 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.414 -0.914 . . . . 3.12 109.924 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.8 tp -67.37 -41.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.398 -0.593 . . . . 2.0 109.398 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 82.4 mmm -57.58 -31.35 66.07 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.567 -0.288 . . . . 2.01 111.388 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 tm? -64.42 -36.76 85.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.769 -0.826 . . . . 1.38 108.769 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 23.7 mmt -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.91 109.98 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -71.16 -37.46 72.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.713 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 81' ' ' MET . 18.5 mtp180 -62.2 -40.18 95.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.43 0.633 . . . . 1.67 109.339 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 57.3 mt -70.53 -25.05 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.716 . . . . 1.68 110.129 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 55.3 m -69.69 -35.29 74.96 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.48 110.234 176.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.556 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 89.8 t90 -65.08 -36.76 85.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.732 -0.84 . . . . 3.49 108.732 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.05 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.57 -0.741 . . . . 1.18 110.597 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -79.57 -22.23 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.382 . . . . 1.74 110.464 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -68.62 -32.48 72.39 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.828 -1.175 . . . . 3.33 107.828 169.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.2 mm-40 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.83 174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.704 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 94.4 mtp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 113.654 0.983 . . . . 2.68 113.654 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -75.74 176.98 7.22 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.933 -1.485 . . . . 1.22 111.572 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.41 -48.55 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 2.47 110.814 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.605 ' O ' HG13 ' B' ' 12' ' ' ILE . 3.2 tm? -62.96 -43.92 97.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.086 -0.961 . . . . 1.81 109.083 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.704 ' OE1' ' HA ' ' B' ' 5' ' ' MET . 7.4 tt0 -63.14 -50.22 71.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.229 -1.351 . . . . 2.28 111.644 -175.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.432 ' HD2' ' HE1' ' B' ' 5' ' ' MET . 18.1 mmm180 -59.88 -35.11 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 3.54 111.078 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 15' ' ' ILE . 11.5 m120 -67.16 -37.56 83.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.56 . . . . 1.7 110.81 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 8' ' ' LEU . 28.6 mt -62.4 -49.53 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.33 109.973 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.53 -42.55 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 1.95 110.293 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.404 HG21 HD22 ' A' ' 11' ' ' ASN . 44.3 m -65.46 -41.67 93.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.785 -0.643 . . . . 0.44 110.746 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' A' ' 15' ' ' ILE . 8.8 mt -63.42 -47.19 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.42 110.652 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 12' ' ' ILE . 96.7 mt -56.4 -52.18 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.42 111.474 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -69.65 -26.77 64.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.713 0.264 . . . . 1.76 111.713 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.761 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 79.8 m -71.06 -51.7 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.468 -0.493 . . . . 0.8 110.402 176.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.419 ' HD2' HD11 ' B' ' 32' ' ' LEU . 38.2 m-85 -59.55 -42.16 91.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.913 0.387 . . . . 3.66 110.35 174.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.525 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 8.8 t-80 -70.46 -24.59 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.935 -0.575 . . . . 2.83 111.773 -176.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.9 pt20 -73.07 -32.4 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.147 -0.686 . . . . 1.45 109.147 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.428 ' HD2' ' O ' ' B' ' 18' ' ' THR . 92.2 m-85 -79.38 -33.21 43.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 1.4 110.992 174.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' B' ' 29' ' ' PRO . 84.9 p -66.74 -41.46 87.79 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.664 0.745 . . . . 1.04 109.241 177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' B' ' 28' ' ' HIS . 4.2 p -75.81 -3.48 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.066 -0.97 . . . . 0.69 112.192 -177.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 27.6 mtpp -58.91 -29.69 67.25 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.776 0.658 . . . . 2.17 112.776 -176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.499 ' HB3' ' HG2' ' B' ' 29' ' ' PRO . 25.1 tp -89.61 12.75 15.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 2.04 111.061 -176.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.73 -96.68 0.23 Allowed Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.365 -0.694 . . . . 1.43 111.365 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.68 ' N ' ' HD3' ' B' ' 29' ' ' PRO . 77.2 m-70 -131.27 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 113.309 0.855 . . . . 3.7 113.309 171.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' N ' ' B' ' 28' ' ' HIS . 86.4 Cg_exo -56.46 166.15 3.78 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.484 2.122 . . . . 2.64 115.447 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.41 8.94 10.84 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 112.547 -2.115 . . . . 2.56 108.284 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -127.79 149.4 50.28 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.15 -1.386 . . . . 1.4 109.788 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.419 HD11 ' HD2' ' B' ' 19' ' ' PHE . 76.1 mt -91.6 118.54 30.71 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.346 -0.983 . . . . 0.73 108.346 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' OE2' ' B' ' 36' ' ' GLU . 1.7 m-20 -85.37 168.73 14.37 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.501 -0.925 . . . . 2.37 108.501 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 29.8 tt0 -51.0 -40.25 57.69 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.528 0.566 . . . . 1.42 112.528 -172.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.51 38.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.813 -0.708 . . . . 0.44 111.934 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' B' ' 33' ' ' ASN . 5.0 mp0 -66.01 -41.09 91.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.131 -0.534 . . . . 2.01 110.682 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.26 -47.26 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 1.47 110.944 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 94.3 mttt -54.08 -48.19 70.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 1.39 110.597 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 36.9 tt0 -64.69 -46.73 81.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.845 -0.616 . . . . 1.75 110.818 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 1.43 109.921 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 49.9 t -55.86 -37.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.4 110.93 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 79.7 mtt180 -70.42 -29.98 66.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.338 0.866 . . . . 3.25 113.338 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.77 -42.05 4.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.471 1.286 . . . . 2.33 114.471 -173.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 2.0 p30 -106.75 -25.42 11.74 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.538 1.063 . . . . 1.87 113.051 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 96.1 mt -98.13 1.8 47.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 0.44 110.384 174.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 15.0 pt20 -53.15 -21.28 4.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 113.305 0.854 . . . . 1.46 113.305 -173.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 9' ' ' GLU . 26.1 t-20 -95.44 -39.19 10.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 2.14 109.913 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.63 -35.75 65.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.449 0.643 . . . . 1.92 110.544 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 86' ' ' LEU . 87.7 mt -106.9 26.61 9.87 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.426 -0.806 . . . . 0.61 109.578 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 39.1 ttmt -46.05 -59.69 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.705 -1.134 . . . . 2.15 112.848 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -69.04 -30.73 69.15 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.13 -0.628 . . . . 1.25 110.271 -177.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HG3' HG11 ' B' ' 58' ' ' VAL . 16.3 mp0 -65.34 -37.84 88.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 2.13 111.535 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' B' ' 46' ' ' GLN . 21.0 p30 -72.5 -14.93 61.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.965 0.412 . . . . 1.7 111.319 -170.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.35 -8.74 59.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.027 -0.533 . . . . 3.34 110.523 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -122.87 146.01 47.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.502 -0.555 . . . . 1.92 109.502 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 47.6 mt-10 -88.27 -39.9 14.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.549 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' B' ' 60' ' ' GLU . 27.7 mtpp -63.6 -32.55 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 2.5 111.389 -177.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.476 HG11 ' HG3' ' B' ' 52' ' ' GLU . 43.9 t -65.37 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.957 -0.565 . . . . 0.66 110.357 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.481 HD12 HG11 ' B' ' 41' ' ' VAL . 19.6 mm -69.36 -34.91 64.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 48.4 mt-10 -59.78 -36.29 76.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.268 -0.424 . . . . 1.85 110.974 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -68.31 -48.92 63.64 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.618 -0.264 . . . . 1.87 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.13 -33.83 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.982 0.896 . . . . 1.18 109.545 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 11.2 tpt -60.3 -39.71 87.9 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.241 -1.8 . . . . 1.05 111.954 176.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.563 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 8.4 tm-20 -115.38 -27.79 7.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 114.285 -2.966 . . . . 2.36 109.646 -169.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.5 -34.11 64.32 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.004 -0.278 . . . . 1.93 110.495 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.66 -11.41 37.08 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.529 0.566 . . . . 1.26 112.529 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.563 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 16.0 t0 -63.92 94.63 0.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.48 1.133 . . . . 1.4 111.799 -171.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.83 -45.69 40.97 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 112.819 -1.991 . . . . 1.98 113.126 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -96.54 -0.29 49.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.579 -0.282 . . . . 2.25 111.265 -171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.88 25.49 6.78 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.711 0.632 . . . . 1.14 110.423 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.42 19.93 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 1.95 109.315 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.491 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.65 47.93 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.034 . . . . 1.64 110.168 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -143.14 140.2 30.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.962 -1.017 . . . . 1.59 110.296 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 67' ' ' ASP . 32.3 mt -108.84 118.68 37.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.447 -0.342 . . . . 0.7 110.294 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' SER . . . . . 0.605 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 48.2 t -69.32 158.1 35.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.696 -0.853 . . . . 1.41 108.696 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.797 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 31.9 p90 -52.96 -39.2 62.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.019 0.438 . . . . 3.06 111.322 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.603 ' O ' HG22 ' B' ' 80' ' ' ILE . 11.5 mt-10 -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 2.04 111.164 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' B' ' 75' ' ' SER . 3.8 mp0 -85.97 -37.71 18.72 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 112.242 0.46 . . . . 3.18 112.242 -175.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.797 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -73.02 -25.96 61.14 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.35 -0.94 . . . . 3.12 110.003 176.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.8 tp -67.38 -41.21 86.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.378 -0.601 . . . . 2.0 109.378 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 82.5 mmm -57.5 -31.36 65.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.489 -0.323 . . . . 2.01 111.422 171.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.7 tm? -64.44 -36.83 85.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.856 -0.794 . . . . 1.38 108.856 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.503 ' HE2' ' HA ' ' B' ' 83' ' ' MET . 23.8 mmt -62.21 -34.55 76.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.91 110.027 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.78 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -71.07 -37.51 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.35 110.739 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' B' ' 81' ' ' MET . 18.6 mtp180 -62.16 -40.26 95.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.289 -0.634 . . . . 1.67 109.289 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 57.1 mt -70.41 -25.11 63.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.601 -0.727 . . . . 1.68 110.155 174.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 54.4 m -69.73 -35.19 74.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.48 110.173 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.559 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 89.7 t90 -65.08 -36.89 85.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.78 -0.822 . . . . 3.49 108.78 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.83 -25.18 62.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.67 -0.695 . . . . 1.18 110.674 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -79.51 -22.06 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 1.74 110.49 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.95 -32.25 71.7 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.021 -1.103 . . . . 3.33 108.021 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.3 mm-40 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 114.719 -1.128 . . . . 3.29 109.856 174.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 3.7 ttt . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.367 -0.605 . . . . 2.68 109.367 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' B' ' 44' ' ' ASP . 10.2 t -76.71 174.01 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.207 -0.294 . . . . 1.22 110.207 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.19 -47.28 83.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.173 0.511 . . . . 2.47 110.676 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.838 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -69.33 -38.67 78.28 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.289 -0.869 . . . . 1.81 109.252 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.598 ' HG3' ' HB2' ' B' ' 48' ' ' PHE . 25.5 tt0 -59.93 -48.13 82.97 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.737 -0.665 . . . . 2.29 110.34 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -68.77 -35.33 76.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.668 -0.696 . . . . 3.54 111.204 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.838 ' ND2' ' HA ' ' A' ' 8' ' ' LEU . 14.0 p30 -67.25 -35.7 80.08 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.829 -0.349 . . . . 1.71 110.177 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 86.5 mt -64.94 -46.12 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.32 110.11 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.97 -33.59 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 1.95 111.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.8 m -57.92 -40.29 80.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.644 0.735 . . . . 0.44 109.278 174.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' OD1' ' B' ' 11' ' ' ASN . 9.5 mt -64.72 -52.07 59.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.044 -0.98 . . . . 0.42 110.799 174.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' B' ' 87' ' ' THR . 79.5 mt -58.65 -41.32 81.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.371 -0.831 . . . . 0.42 111.267 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.77 -40.77 98.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.871 0.367 . . . . 1.76 110.959 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.8 m -70.63 -50.3 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.8 110.526 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.531 ' CE1' ' HE2' ' A' ' 79' ' ' PHE . 11.4 m-30 -55.36 -41.61 72.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.558 0.694 . . . . 3.66 109.338 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 18.5 t-80 -55.87 -41.63 74.67 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.679 -1.146 . . . . 2.82 112.34 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 18' ' ' THR . 22.4 pt20 -71.19 -32.48 68.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.083 -0.647 . . . . 1.45 110.645 -172.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 40' ' ' LEU . 90.9 m-85 -78.86 -32.87 46.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.642 -0.423 . . . . 1.4 110.889 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 16.6 p -79.63 -34.93 40.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.143 0.497 . . . . 1.04 111.371 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.57 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.9 p -68.27 -3.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.756 -0.656 . . . . 0.69 111.265 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.91 -30.81 71.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.647 -0.501 . . . . 2.17 109.647 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 33' ' ' ASN . 75.6 mt -89.43 13.62 13.26 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.064 0.764 . . . . 2.04 113.064 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -118.72 5.66 Favored Glycine 0 N--CA 1.46 0.247 0 C-N-CA 120.5 -0.857 . . . . 1.43 111.568 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -58.05 106.02 0.63 Allowed Pre-proline 0 N--CA 1.465 0.307 0 N-CA-C 107.037 -1.468 . . . . 3.7 107.037 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 Cg_endo -77.99 48.29 2.61 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 CA-C-O 117.123 -1.282 . . . . 2.64 114.992 -152.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -71.87 4.27 3.5 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 122.749 2.522 . . . . 2.56 113.498 -153.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -154.98 158.16 38.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.952 0.406 . . . . 1.4 111.88 -170.042 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.65 119.77 40.36 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.013 -1.106 . . . . 0.73 108.013 159.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 33.6 m-20 -79.64 170.76 16.08 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.577 -0.849 . . . . 2.37 110.239 -177.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' N ' ' HE3' ' A' ' 63' ' ' MET . 50.3 tt0 -51.42 -40.56 59.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 1.42 111.568 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.81 -42.09 39.73 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.237 -0.745 . . . . 0.44 111.237 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 3.8 mp0 -64.54 -39.38 93.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.112 -0.544 . . . . 2.0 110.289 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 71.8 t80 -57.78 -53.36 59.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.47 110.623 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.06 97.8 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.821 -0.627 . . . . 1.38 110.669 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 5.9 tp10 -60.82 -45.47 94.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.264 -0.425 . . . . 1.74 110.936 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 22' ' ' TYR . 3.0 tm? -58.81 -53.76 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.43 -0.581 . . . . 1.43 109.43 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.614 HG13 HD12 ' A' ' 49' ' ' LEU . 76.8 t -58.66 -38.48 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.677 -0.692 . . . . 0.4 110.91 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 31.1 ttt180 -65.21 -32.69 74.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.143 -0.935 . . . . 3.25 112.919 -173.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HZ2' ' HG3' ' A' ' 39' ' ' GLU . 10.9 mtmm -123.9 -27.04 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.968 -0.693 . . . . 2.33 112.707 -171.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' B' ' 6' ' ' SER . 5.0 m-20 -99.43 -34.26 10.35 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.437 0.637 . . . . 1.88 110.043 -174.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 84.9 mt -100.93 5.8 43.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.962 -1.017 . . . . 0.44 110.796 174.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 10.6 pt20 -49.8 -23.87 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 50' ' ' LYS . 6.5 t30 -103.29 -38.02 7.41 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.411 -0.515 . . . . 2.14 110.492 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' HB2' ' HG3' ' B' ' 9' ' ' GLU . 4.4 t80 -65.49 -36.16 83.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.914 0.864 . . . . 1.91 109.323 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 41' ' ' VAL . 39.7 mt -110.93 23.75 13.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.888 -1.051 . . . . 0.61 109.781 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' A' ' 46' ' ' GLN . 2.0 tpmt? -45.2 -56.27 4.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.901 -0.591 . . . . 2.16 111.712 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HD2' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.63 -33.2 73.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.004 -0.544 . . . . 1.25 111.633 -178.648 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.624 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 16.2 mt-10 -75.72 -32.76 60.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.413 -0.358 . . . . 2.13 110.969 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.599 ' ND2' ' HA ' ' A' ' 46' ' ' GLN . 5.8 m-20 -66.61 -18.62 65.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.7 111.156 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.36 -1.55 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.348 0.594 . . . . 3.34 110.33 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -122.14 147.08 46.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 1.92 109.581 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.9 tp10 -87.42 -51.6 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.08 0.467 . . . . 2.46 110.098 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.25 -30.16 71.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.422 -0.808 . . . . 2.5 112.597 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 52' ' ' GLU . 38.6 t -64.17 -42.66 96.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.431 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 HG11 ' A' ' 41' ' ' VAL . 20.5 mm -70.56 -35.63 62.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 1.05 109.905 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 10.4 mm-40 -61.03 -37.83 83.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.875 -0.602 . . . . 1.86 109.981 176.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -67.05 -49.09 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.283 -0.871 . . . . 1.87 110.646 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 48.6 mt -63.55 -34.5 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.246 0.546 . . . . 1.18 110.143 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.627 ' HE1' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -58.76 -52.45 65.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.742 -1.117 . . . . 1.05 110.764 177.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.52 -29.1 10.89 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 114.947 -2.701 . . . . 2.37 110.003 -165.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.0 -38.23 72.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.483 -0.487 . . . . 1.93 110.268 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 10.7 mp -72.23 -34.41 68.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.599 0.238 . . . . 1.26 111.571 174.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -65.85 92.29 0.16 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.686 0.755 . . . . 1.39 110.581 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.9 m -60.45 -25.22 65.84 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.64 -1.163 . . . . 1.98 111.564 175.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.86 -4.14 56.81 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.749 -0.38 . . . . 2.25 110.188 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.69 34.89 5.51 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.602 0.964 . . . . 1.15 113.602 169.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -116.53 14.82 15.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.382 0.61 . . . . 1.95 110.414 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.802 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 65.88 37.73 5.37 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.117 -0.947 . . . . 1.64 109.763 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 46.8 mt-30 -144.16 140.41 29.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.903 -1.498 . . . . 1.59 108.373 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 63.2 mt -117.69 116.01 26.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.479 -0.488 . . . . 0.7 110.92 -174.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -69.17 151.64 46.1 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.449 -1.685 . . . . 1.42 106.449 171.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.743 ' O ' HG23 ' A' ' 80' ' ' ILE . 23.0 p90 -48.9 -40.79 31.24 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.81 -0.356 . . . . 3.07 111.671 -175.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp0 -58.95 -36.36 74.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 2.03 111.621 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.67 -38.74 80.6 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.925 0.869 . . . . 3.18 109.66 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 24.0 t80 -76.76 -40.98 46.59 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.498 -0.774 . . . . 3.12 111.589 -173.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -66.55 -30.82 51.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 119.55 -0.86 . . . . 2.0 109.689 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.596 ' H ' HD13 ' A' ' 80' ' ' ILE . 80.6 mtp -54.07 -36.99 63.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.982 -0.554 . . . . 2.01 111.431 167.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 45.2 tp -58.88 -38.92 79.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.108 0.48 . . . . 1.38 109.933 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -62.7 -20.95 65.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.91 111.073 176.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.741 ' HB2' HD12 ' B' ' 80' ' ' ILE . . . -75.99 -37.72 58.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.26 0.552 . . . . 0.35 110.152 174.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 85' ' ' ARG . 10.7 mtp180 -62.76 -38.72 91.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.29 -0.868 . . . . 1.67 108.771 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD22 ' CD1' ' A' ' 48' ' ' PHE . 35.5 mt -70.74 -30.46 66.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.869 -1.06 . . . . 1.68 109.878 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 16' ' ' ILE . 38.0 m -64.21 -38.15 90.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.483 -0.487 . . . . 0.48 109.866 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' O ' ' HB3' ' A' ' 91' ' ' HIS . 84.7 t90 -66.23 -36.07 82.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 3.49 110.678 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -47.57 65.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.826 0.346 . . . . 1.18 111.573 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' HD13 ' B' ' 16' ' ' ILE . 20.6 t -72.74 -23.85 60.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.972 0.415 . . . . 1.74 110.091 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.4 t-80 -58.11 -37.58 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.48 -0.563 . . . . 3.33 109.48 172.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 27.7 mm-40 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.206 -0.906 . . . . 3.3 110.793 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.488 ' HG3' ' OE2' ' B' ' 9' ' ' GLU . 3.7 ttt . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 109.415 -0.587 . . . . 2.68 109.415 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 44' ' ' ASP . 13.8 t -76.49 174.0 10.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.259 -0.274 . . . . 1.22 110.259 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -58.18 -47.29 83.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.198 0.523 . . . . 2.47 110.592 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.835 ' HA ' ' ND2' ' B' ' 11' ' ' ASN . 0.7 OUTLIER -69.52 -38.72 77.67 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.194 -0.912 . . . . 1.81 109.19 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.603 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 25.3 tt0 -59.72 -48.21 82.58 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.751 -0.659 . . . . 2.28 110.449 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.71 -35.49 77.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.77 . . . . 3.54 111.234 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.835 ' ND2' ' HA ' ' B' ' 8' ' ' LEU . 13.9 p30 -67.01 -35.81 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.115 -0.328 . . . . 1.7 110.115 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 8' ' ' LEU . 86.4 mt -64.87 -46.25 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.396 -0.365 . . . . 0.33 110.122 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.0 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 1.95 111.19 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.2 m -57.95 -40.23 80.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.675 0.75 . . . . 0.44 109.298 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.56 HG12 ' OD1' ' A' ' 11' ' ' ASN . 9.5 mt -64.88 -52.02 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.962 -1.017 . . . . 0.42 110.79 175.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 87' ' ' THR . 79.3 mt -58.73 -41.17 81.7 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 115.355 -0.838 . . . . 0.42 111.321 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.62 -41.04 98.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 1.76 110.939 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 8' ' ' LEU . 21.9 m -70.35 -50.3 40.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 0.8 110.578 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HE2' ' B' ' 79' ' ' PHE . 11.5 m-30 -55.45 -41.5 72.98 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.539 0.685 . . . . 3.66 109.383 176.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.439 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 18.0 t-80 -55.92 -41.63 74.85 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.622 -1.172 . . . . 2.83 112.336 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 18' ' ' THR . 22.6 pt20 -71.26 -32.43 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.204 -0.598 . . . . 1.45 110.634 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.516 ' CE1' HD23 ' B' ' 40' ' ' LEU . 90.8 m-85 -78.87 -32.86 46.1 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.68 -0.408 . . . . 1.4 110.987 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.635 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 17.1 p -79.76 -34.63 39.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.11 0.481 . . . . 1.04 111.373 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -68.56 -3.97 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.749 -0.659 . . . . 0.69 111.292 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.06 -30.68 71.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.684 -0.488 . . . . 2.17 109.684 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.418 HD11 HD21 ' B' ' 33' ' ' ASN . 75.2 mt -89.41 13.35 13.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.986 0.736 . . . . 2.04 112.986 174.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.09 -118.64 5.69 Favored Glycine 0 N--CA 1.461 0.349 0 C-N-CA 120.482 -0.866 . . . . 1.43 111.59 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -58.21 105.79 0.6 Allowed Pre-proline 0 N--CA 1.464 0.254 0 N-CA-C 106.985 -1.487 . . . . 3.7 106.985 166.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.635 ' O ' ' HB2' ' B' ' 23' ' ' SER . 41.2 Cg_endo -77.86 48.02 2.51 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-O 117.131 -1.279 . . . . 2.64 114.981 -152.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.06 4.9 3.06 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 122.718 2.508 . . . . 2.56 113.479 -153.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 74' ' ' LEU . 0.9 OUTLIER -155.26 158.17 38.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.034 0.445 . . . . 1.4 111.922 -170.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -107.7 119.7 40.17 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.038 -1.097 . . . . 0.73 108.038 159.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 34.2 m-20 -79.64 170.73 16.12 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.486 -0.885 . . . . 2.37 110.247 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.408 ' N ' ' HE3' ' B' ' 63' ' ' MET . 50.0 tt0 -51.26 -40.76 59.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.895 0.379 . . . . 1.42 111.58 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.67 40.01 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.184 -0.766 . . . . 0.44 111.184 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.4 mp0 -64.82 -39.29 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.153 -0.524 . . . . 2.01 110.289 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.43 ' CD2' ' HE1' ' B' ' 79' ' ' PHE . 71.2 t80 -57.95 -53.21 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 1.47 110.634 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.04 97.75 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.892 -0.595 . . . . 1.39 110.793 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' HZ2' ' B' ' 43' ' ' LYS . 5.9 tp10 -60.97 -45.44 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 1.75 110.98 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.516 HD23 ' CE1' ' B' ' 22' ' ' TYR . 3.0 tm? -58.73 -53.75 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 178.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.628 HG13 HD12 ' B' ' 49' ' ' LEU . 77.1 t -58.69 -38.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.4 110.86 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 31.3 ttt180 -65.39 -32.53 74.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.154 -0.93 . . . . 3.25 112.932 -173.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.517 ' HZ2' ' HG3' ' B' ' 39' ' ' GLU . 10.9 mtmm -124.0 -26.97 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.99 -0.684 . . . . 2.33 112.844 -171.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 6' ' ' SER . 5.2 m-20 -99.38 -34.38 10.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.39 0.614 . . . . 1.87 110.149 -174.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 85.1 mt -100.92 5.8 43.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.44 110.786 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' B' ' 50' ' ' LYS . 10.5 pt20 -49.81 -24.02 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 50' ' ' LYS . 6.4 t30 -103.41 -37.45 7.61 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.365 -0.534 . . . . 2.14 110.498 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.598 ' HB2' ' HG3' ' A' ' 9' ' ' GLU . 4.6 t80 -65.85 -36.59 83.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.851 0.834 . . . . 1.92 109.168 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.628 HD12 HG13 ' B' ' 41' ' ' VAL . 40.3 mt -110.61 23.87 13.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.865 -1.061 . . . . 0.61 109.886 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' B' ' 46' ' ' GLN . 2.0 tpmt? -45.09 -56.37 4.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.873 -0.603 . . . . 2.15 111.679 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.63 ' HD2' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -61.77 -32.91 73.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 1.25 111.707 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.63 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 15.8 mt-10 -75.99 -32.63 59.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.916 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.59 ' ND2' ' HA ' ' B' ' 46' ' ' GLN . 5.9 m-20 -66.47 -19.23 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 1.7 110.965 -178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.04 -1.12 54.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.246 0.546 . . . . 3.34 110.373 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.46 147.2 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.979 -0.555 . . . . 1.92 109.577 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 tp10 -87.5 -51.57 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 2.46 110.188 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.29 -30.35 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 2.5 112.541 -171.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' B' ' 52' ' ' GLU . 38.6 t -64.02 -42.69 96.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.207 -0.451 . . . . 0.66 110.46 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.457 HD12 HG11 ' B' ' 41' ' ' VAL . 20.6 mm -70.75 -35.65 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.05 109.918 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 10.1 mm-40 -60.86 -37.79 83.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 1.85 110.052 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -66.98 -49.26 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 1.87 110.533 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 48.1 mt -63.56 -34.33 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 1.18 110.197 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.538 ' HE1' ' HG ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -58.9 -52.57 65.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.785 -1.098 . . . . 1.05 110.781 177.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.38 -29.08 10.97 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 114.92 -2.712 . . . . 2.36 109.951 -165.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 -38.32 73.01 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.523 -0.471 . . . . 1.93 110.402 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 10.6 mp -72.33 -34.24 67.9 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.583 0.23 . . . . 1.26 111.537 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.79 92.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.725 0.774 . . . . 1.4 110.456 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 m -60.98 -25.07 66.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.6 -1.182 . . . . 1.98 111.531 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -91.05 -4.22 56.53 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.802 -0.359 . . . . 2.25 110.221 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.59 35.16 5.71 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.612 0.967 . . . . 1.14 113.612 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -116.71 14.7 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.408 0.623 . . . . 1.95 110.258 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.798 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.1 OUTLIER 65.91 37.84 5.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.156 -0.929 . . . . 1.64 109.783 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 47.1 mt-30 -144.07 140.49 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.961 -1.472 . . . . 1.59 108.325 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.538 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 63.3 mt -117.66 116.05 26.29 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.524 -0.471 . . . . 0.7 110.903 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 10.1 t -69.15 151.68 46.07 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.576 -1.639 . . . . 1.41 106.576 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.738 ' O ' HG23 ' B' ' 80' ' ' ILE . 22.8 p90 -48.78 -40.89 30.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.029 0.377 . . . . 3.06 111.648 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' B' ' 80' ' ' ILE . 4.1 mp0 -58.95 -36.27 74.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.916 0.388 . . . . 2.04 111.585 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.87 -38.84 79.99 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.888 0.851 . . . . 3.18 109.52 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 24.0 t80 -76.72 -41.1 46.48 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.569 -0.741 . . . . 3.12 111.607 -173.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -66.29 -30.91 51.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 119.592 -0.843 . . . . 2.0 109.701 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.603 ' H ' HD13 ' B' ' 80' ' ' ILE . 81.9 mtp -54.12 -36.93 63.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 2.01 111.577 167.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 45.0 tp -58.83 -38.98 79.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.38 109.952 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.581 ' HB2' ' O ' ' B' ' 80' ' ' ILE . 0.0 OUTLIER -62.67 -21.02 65.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.91 111.015 176.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 80' ' ' ILE . . . -75.8 -37.84 58.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.364 0.602 . . . . 0.35 110.06 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 82' ' ' LEU . 10.9 mtp180 -62.74 -38.78 91.87 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.31 -0.859 . . . . 1.67 108.79 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 48' ' ' PHE . 35.2 mt -70.67 -30.51 67.12 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.841 -1.072 . . . . 1.68 110.019 174.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 37.8 m -64.14 -38.15 90.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.445 -0.502 . . . . 0.48 109.843 175.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.522 ' O ' ' HB3' ' B' ' 91' ' ' HIS . 84.2 t90 -66.28 -36.13 82.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 3.49 110.687 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.57 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.882 -0.327 . . . . 1.18 111.531 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 16' ' ' ILE . 19.0 t -72.71 -23.81 60.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.946 0.403 . . . . 1.74 110.181 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.1 t-80 -58.15 -37.78 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.432 -0.581 . . . . 3.33 109.432 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 26.4 mm-40 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.099 -0.955 . . . . 3.29 110.72 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtm . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 121.405 0.621 . . . . 2.68 112.349 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -80.78 178.48 8.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.96 -1.018 . . . . 1.22 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.9 tp-100 -56.24 -45.09 80.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.135 -0.32 . . . . 2.47 110.135 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.8 tp -62.84 -45.51 92.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.506 . . . . 1.81 110.966 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.711 ' OE2' ' HB2' ' B' ' 48' ' ' PHE . 1.6 mm-40 -61.2 -50.64 72.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.237 0.542 . . . . 2.29 110.388 -176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 25.3 mmt180 -60.71 -37.53 82.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.265 -0.879 . . . . 3.54 110.488 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.577 ' OD1' HG13 ' B' ' 15' ' ' ILE . 7.5 t-20 -69.62 -44.44 70.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.739 -1.119 . . . . 1.71 110.717 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 8' ' ' LEU . 94.7 mt -61.13 -47.78 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 0.32 110.634 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -63.82 -32.48 74.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 1.95 111.093 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.7 m -58.4 -43.52 88.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 121.086 -0.245 . . . . 0.44 110.872 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG13 ' OD1' ' B' ' 11' ' ' ASN . 63.2 mt -64.77 -46.29 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.952 0.406 . . . . 0.42 110.438 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 76.5 mt -59.46 -40.49 81.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.42 110.671 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 73.1 m-20 -70.1 -31.37 68.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.76 112.012 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 45.2 m -69.07 -50.34 49.23 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.386 0.612 . . . . 0.8 109.57 177.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -54.31 -43.45 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.511 -0.768 . . . . 3.66 108.964 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -55.28 -51.22 67.38 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.805 -1.089 . . . . 2.82 112.048 -177.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.8 pt20 -66.51 -32.95 74.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.919 0.34 . . . . 1.45 111.919 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD2' HD23 ' A' ' 40' ' ' LEU . 89.3 m-85 -79.16 -33.53 43.98 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.094 -0.642 . . . . 1.4 111.059 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.625 ' OG ' ' HG ' ' A' ' 32' ' ' LEU . 18.5 m -77.57 -28.55 51.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.472 0.653 . . . . 1.04 110.75 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.5 p -74.81 -2.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.69 111.625 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 82.4 mttt -59.62 -23.91 63.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 120.552 -0.459 . . . . 2.17 110.566 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 33' ' ' ASN . 5.3 mp -87.66 -19.01 28.29 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.22 0.452 . . . . 2.04 112.22 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.42 141.66 5.19 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 110.703 -0.959 . . . . 1.43 110.703 -170.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 38.77 80.04 0.29 Allowed Pre-proline 0 N--CA 1.481 1.076 0 N-CA-C 108.085 -1.08 . . . . 3.7 108.085 -166.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 49.6 Cg_endo -74.65 40.51 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.438 0 N-CA-C 116.586 1.726 . . . . 2.64 116.586 -146.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -72.16 7.92 1.51 Allowed 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 123.5 2.864 . . . . 2.56 113.497 -149.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 41.7 p -154.48 147.65 24.78 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.058 0.543 . . . . 1.4 110.918 -166.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 ' HG ' ' OG ' ' A' ' 23' ' ' SER . 17.3 mt -105.31 121.01 42.99 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.035 -1.098 . . . . 0.73 108.035 159.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.607 HD21 HD21 ' A' ' 26' ' ' LEU . 15.6 m-80 -80.6 176.92 9.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.302 -1.359 . . . . 2.37 109.171 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.704 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 54.3 tt0 -54.78 -42.41 71.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.177 -0.465 . . . . 1.42 111.181 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.82 -40.73 51.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.831 -0.699 . . . . 0.44 112.159 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG3' ' HD2' ' A' ' 25' ' ' LYS . 1.9 mp0 -67.53 -39.39 85.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.541 -0.329 . . . . 2.0 110.709 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' A' ' 74' ' ' LEU . 54.4 t80 -65.52 -43.75 89.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 1.47 110.9 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' A' ' 34' ' ' GLN . 2.7 mptm? -53.6 -43.42 68.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.737 -0.468 . . . . 1.38 109.737 175.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.32 -45.09 85.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.363 -0.835 . . . . 1.74 111.273 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.7 tm? -59.31 -46.89 87.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.717 -0.475 . . . . 1.43 109.717 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 85.3 t -58.52 -36.39 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.4 110.965 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' HA ' ' OD1' ' A' ' 53' ' ' ASN . 12.2 mmm180 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.567 0.58 . . . . 3.25 112.567 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -103.0 -45.67 4.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.712 1.004 . . . . 2.33 113.712 -169.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -43.56 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.737 -0.785 . . . . 1.88 111.222 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 75.9 mt -80.35 3.52 20.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.259 0.552 . . . . 0.44 111.055 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 8.7 pt20 -51.62 -22.32 3.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.263 -0.88 . . . . 1.46 112.051 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -100.61 -50.65 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 2.14 110.975 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.71 ' HB2' ' OE2' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.77 -32.33 69.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.458 0.647 . . . . 1.91 109.743 -174.44 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 45' ' ' LEU . 71.1 mt -110.17 21.48 16.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.625 -0.716 . . . . 0.61 111.369 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.03 -41.34 34.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.876 0.695 . . . . 2.16 112.876 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -63.02 -39.47 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.481 0.658 . . . . 1.25 110.326 -178.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 29.9 tt0 -74.16 -32.7 63.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.079 -0.964 . . . . 2.13 110.232 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 42' ' ' ARG . 2.6 t30 -62.18 -21.46 65.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.872 -1.058 . . . . 1.7 111.383 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 14.7 tmtt? -82.51 -16.76 47.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.732 -0.667 . . . . 3.34 110.863 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -125.96 145.9 50.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.937 -0.394 . . . . 1.92 109.937 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 36.4 tt0 -82.04 -41.29 20.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.871 0.367 . . . . 2.46 110.497 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.69 -32.4 72.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 2.5 111.958 -171.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 6.4 t -67.86 -39.72 82.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.183 0.516 . . . . 0.66 109.702 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.89 -34.46 64.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.425 -0.807 . . . . 1.05 110.386 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' HG2' ' CE ' ' A' ' 38' ' ' LYS . 8.7 mt-10 -65.05 -34.55 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 1.86 110.433 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.61 -47.81 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.562 -0.533 . . . . 1.87 109.562 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 47.8 mm -62.67 -33.98 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.435 0.636 . . . . 1.18 110.557 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.529 ' O ' HD21 ' A' ' 74' ' ' LEU . 13.4 tpt -59.23 -49.26 78.52 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 114.594 -1.184 . . . . 1.05 111.74 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 tm-20 -107.72 -28.54 9.64 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 114.656 -2.818 . . . . 2.37 109.265 -166.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.94 -34.15 65.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.547 -0.461 . . . . 1.93 110.069 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 7.6 mp -93.54 -12.18 30.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.67 0.619 . . . . 1.26 112.67 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 21.0 t0 -62.46 84.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.292 1.044 . . . . 1.39 110.266 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -65.99 -33.9 76.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.493 -1.685 . . . . 1.98 112.129 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.31 -2.31 58.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.437 0.637 . . . . 2.25 109.591 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.37 23.92 7.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.809 -1.087 . . . . 1.15 113.667 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.1 22.87 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.191 -0.318 . . . . 1.95 111.205 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 66.32 43.31 2.75 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.629 0.728 . . . . 1.64 110.204 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -144.67 140.07 28.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.689 -1.141 . . . . 1.59 108.803 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CD ' ' A' ' 78' ' ' GLU . 16.0 mt -111.92 116.84 31.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.183 0.516 . . . . 0.7 111.227 -174.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 25.3 t -97.29 150.14 21.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.825 -1.176 . . . . 1.42 107.825 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' O ' HG23 ' A' ' 80' ' ' ILE . 17.9 t80 -45.6 -34.28 3.3 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.825 1.046 . . . . 3.07 113.825 -169.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.818 ' O ' HG12 ' A' ' 80' ' ' ILE . 2.2 mp0 -56.58 -28.21 59.75 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.954 0.883 . . . . 2.03 109.962 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.586 ' CD ' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.02 -44.58 79.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.489 0.661 . . . . 3.18 109.833 172.119 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 83' ' ' MET . 16.4 t80 -70.51 -29.08 65.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.887 -1.051 . . . . 3.12 110.308 -173.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.97 HD13 ' HB2' ' B' ' 84' ' ' ALA . 5.9 pt -64.93 -45.76 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.021 -0.733 . . . . 2.0 109.021 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.865 ' HA ' HD12 ' B' ' 80' ' ' ILE . 0.4 OUTLIER -52.46 -38.12 58.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.119 0.485 . . . . 2.01 110.206 172.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.91 -36.48 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 1.38 110.245 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 33.1 mmt -59.69 -29.85 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.91 110.27 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.971 ' HB2' HD13 ' B' ' 80' ' ' ILE . . . -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.144 0.497 . . . . 0.35 110.48 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 14.5 mtp180 -67.78 -37.2 81.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.781 -0.645 . . . . 1.67 109.618 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.441 HD21 HD21 ' A' ' 49' ' ' LEU . 80.9 mt -69.12 -28.01 66.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.752 -0.658 . . . . 1.68 109.749 172.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 28.4 m -69.84 -28.37 65.62 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.166 -0.47 . . . . 0.48 110.841 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -68.78 -37.02 79.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.605 0.717 . . . . 3.49 109.229 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 1.18 110.072 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -86.59 -2.08 58.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.983 -0.553 . . . . 1.74 110.057 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -84.63 -33.05 23.38 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.183 -1.043 . . . . 3.33 108.183 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.925 -1.034 . . . . 3.3 110.535 170.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtm . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.454 0.645 . . . . 2.68 112.322 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -80.77 178.42 8.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.842 -1.072 . . . . 1.22 109.58 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp-100 -56.45 -44.96 81.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.096 -0.335 . . . . 2.47 110.096 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.534 ' O ' HG13 ' B' ' 12' ' ' ILE . 22.8 tp -62.92 -45.32 93.05 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.21 -0.45 . . . . 1.81 111.018 -178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.71 ' OE2' ' HB2' ' A' ' 48' ' ' PHE . 1.6 mm-40 -61.28 -50.58 72.45 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.234 0.54 . . . . 2.28 110.484 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 25.3 mmt180 -60.68 -37.61 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 3.54 110.407 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.576 ' OD1' HG13 ' A' ' 15' ' ' ILE . 7.4 t-20 -69.55 -44.48 70.84 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.692 -1.14 . . . . 1.7 110.743 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 8' ' ' LEU . 94.1 mt -61.21 -47.69 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.662 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -63.76 -32.59 74.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.091 -0.504 . . . . 1.95 111.081 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 93.9 m -58.34 -43.49 88.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.7 0.286 . . . . 0.44 110.978 176.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.577 HG13 ' OD1' ' A' ' 11' ' ' ASN . 63.3 mt -64.91 -46.08 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.949 0.404 . . . . 0.42 110.406 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 76.0 mt -59.49 -40.64 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.561 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 73.5 m-20 -70.16 -31.29 68.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.277 -0.42 . . . . 1.76 112.032 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 38.8 m -68.89 -50.47 49.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.457 0.646 . . . . 0.8 109.645 177.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.23 -43.38 70.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.418 -0.81 . . . . 3.66 109.035 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' B' ' 16' ' ' ILE . 0.7 OUTLIER -55.47 -51.26 67.53 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.722 -1.126 . . . . 2.83 112.039 -177.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.8 pt20 -66.41 -32.79 74.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.918 0.34 . . . . 1.45 111.918 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 40' ' ' LEU . 89.3 m-85 -79.28 -33.48 43.35 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.116 -0.634 . . . . 1.4 111.081 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.619 ' OG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 m -77.72 -28.46 50.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.513 0.673 . . . . 1.04 110.776 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.648 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -75.0 -2.35 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.69 111.658 -175.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.573 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 82.2 mttt -59.76 -24.18 63.85 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.655 -0.418 . . . . 2.17 110.468 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 33' ' ' ASN . 5.3 mp -87.56 -19.23 28.13 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.237 0.458 . . . . 2.04 112.237 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.68 141.69 5.37 Favored Glycine 0 N--CA 1.461 0.361 0 CA-C-O 118.822 -0.988 . . . . 1.43 110.735 -170.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 38.75 79.87 0.3 Allowed Pre-proline 0 N--CA 1.479 0.99 0 N-CA-C 108.071 -1.085 . . . . 3.7 108.071 -166.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.648 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 50.3 Cg_endo -74.58 40.53 0.63 Allowed 'Trans proline' 0 CA--C 1.515 -0.439 0 N-CA-C 116.562 1.716 . . . . 2.64 116.562 -145.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -72.11 7.87 1.51 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 123.515 2.871 . . . . 2.56 113.46 -149.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' PRO . 43.1 p -154.42 147.49 24.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.146 0.579 . . . . 1.4 111.008 -165.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.619 ' HG ' ' OG ' ' B' ' 23' ' ' SER . 17.3 mt -105.3 121.03 43.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.97 -1.122 . . . . 0.73 107.97 159.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.613 HD21 HD21 ' B' ' 26' ' ' LEU . 14.3 m-80 -80.62 176.92 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.373 -1.331 . . . . 2.37 109.088 175.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.708 ' O ' ' HD3' ' B' ' 38' ' ' LYS . 54.9 tt0 -55.0 -42.32 72.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.147 -0.479 . . . . 1.42 111.072 -174.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.78 -40.83 51.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.928 -0.653 . . . . 0.44 112.17 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.573 ' HG3' ' HD2' ' B' ' 25' ' ' LYS . 2.0 mp0 -67.53 -39.39 85.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.323 . . . . 2.01 110.733 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' B' ' 74' ' ' LEU . 54.2 t80 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.47 110.933 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.708 ' HD3' ' O ' ' B' ' 34' ' ' GLN . 2.7 mptm? -53.69 -43.24 68.76 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.781 -0.452 . . . . 1.39 109.781 175.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.47 -44.84 85.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.4 -0.818 . . . . 1.75 111.399 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.7 tm? -59.59 -46.77 87.95 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.615 -0.513 . . . . 1.43 109.615 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 84.6 t -58.61 -36.48 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.4 110.873 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.561 ' HA ' ' OD1' ' B' ' 53' ' ' ASN . 12.1 mmm180 -74.64 -31.33 61.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 112.537 0.569 . . . . 3.25 112.537 -173.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.78 -45.68 4.93 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.66 0.985 . . . . 2.33 113.66 -169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.61 -43.42 6.84 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.714 -0.795 . . . . 1.87 111.29 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.618 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 75.8 mt -80.41 3.51 21.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.696 0.623 . . . . 0.44 111.05 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 8.8 pt20 -51.53 -22.41 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.302 -0.863 . . . . 1.46 111.993 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -100.61 -50.62 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 2.14 110.978 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.711 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -70.74 -32.2 69.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.489 0.661 . . . . 1.92 109.812 -174.499 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' B' ' 45' ' ' LEU . 70.1 mt -110.33 21.47 16.66 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.578 -0.737 . . . . 0.61 111.389 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.13 -41.07 34.92 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.843 0.683 . . . . 2.15 112.843 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -63.04 -39.93 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.637 . . . . 1.25 110.279 -179.179 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.462 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 30.5 tt0 -73.95 -32.39 63.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.168 -0.923 . . . . 2.13 110.19 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.561 ' OD1' ' HA ' ' B' ' 42' ' ' ARG . 2.6 t30 -62.24 -21.69 65.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.92 -1.036 . . . . 1.7 111.437 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 54' ' ' LYS . 14.8 tmtt? -82.33 -17.18 46.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 3.34 110.784 -173.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.54 146.15 49.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.879 -0.415 . . . . 1.92 109.879 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 36.6 tt0 -82.37 -41.43 19.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.846 0.355 . . . . 2.46 110.469 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.66 -32.35 72.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.671 . . . . 2.5 111.95 -171.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 6.2 t -67.86 -39.64 82.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.256 0.55 . . . . 0.66 109.729 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.04 -34.3 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 1.05 110.384 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.517 ' HG2' ' CE ' ' B' ' 38' ' ' LYS . 8.4 mt-10 -65.11 -34.74 79.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 1.85 110.483 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.45 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.617 -0.512 . . . . 1.87 109.617 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 47.7 mm -62.74 -33.8 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.648 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.531 ' O ' HD21 ' B' ' 74' ' ' LEU . 13.4 tpt -59.42 -49.28 78.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.612 -1.177 . . . . 1.05 111.663 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 6.4 tm-20 -107.63 -28.64 9.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 114.71 -2.796 . . . . 2.36 109.387 -166.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.09 -33.87 65.48 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.628 -0.429 . . . . 1.93 110.13 170.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.525 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 7.6 mp -93.58 -12.14 30.21 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.747 0.647 . . . . 1.26 112.747 175.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.488 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.3 t0 -62.5 84.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 122.188 0.994 . . . . 1.4 110.449 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.8 t -65.6 -33.85 76.86 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.65 -1.614 . . . . 1.98 112.105 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -88.35 -2.29 58.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.453 0.644 . . . . 2.25 109.664 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.49 24.01 8.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.65 -1.159 . . . . 1.14 113.605 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.19 22.93 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.086 -0.245 . . . . 1.95 111.206 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 66.23 43.32 2.83 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.628 0.727 . . . . 1.64 110.298 -179.628 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.74 140.12 28.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.631 -1.168 . . . . 1.59 108.797 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.581 ' HB3' ' CD ' ' B' ' 78' ' ' GLU . 16.1 mt -111.87 116.99 31.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.23 0.538 . . . . 0.7 111.327 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' B' ' 78' ' ' GLU . 25.4 t -97.43 150.06 21.45 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.911 -1.144 . . . . 1.41 107.911 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.586 ' O ' HG23 ' B' ' 80' ' ' ILE . 17.7 t80 -45.63 -34.14 3.28 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.916 1.08 . . . . 3.06 113.916 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' B' ' 80' ' ' ILE . 2.2 mp0 -56.6 -28.4 60.26 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 122.029 0.919 . . . . 2.04 109.983 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.581 ' CD ' ' HB3' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -66.74 -44.56 81.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.609 0.718 . . . . 3.18 109.938 172.176 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' B' ' 83' ' ' MET . 16.3 t80 -70.61 -29.02 65.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.817 -1.083 . . . . 3.12 110.4 -173.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' A' ' 84' ' ' ALA . 5.9 pt -64.91 -45.97 93.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.954 -0.758 . . . . 2.0 108.954 175.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.884 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -52.23 -38.15 57.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.061 0.458 . . . . 2.01 110.223 172.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.94 -36.42 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 1.38 110.259 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 33.1 mmt -59.73 -29.85 68.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.91 110.272 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.97 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -74.76 -38.87 62.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.211 0.529 . . . . 0.35 110.563 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' B' ' 81' ' ' MET . 14.6 mtp180 -67.98 -37.0 80.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.66 -0.7 . . . . 1.67 109.637 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.438 HD21 HD21 ' B' ' 49' ' ' LEU . 80.9 mt -69.28 -28.0 65.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 1.68 109.714 172.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 28.0 m -69.88 -28.36 65.58 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.236 -0.438 . . . . 0.48 110.868 174.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -68.68 -37.1 79.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.595 0.712 . . . . 3.49 109.293 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.865 0.841 . . . . 1.18 110.144 174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -86.5 -2.22 58.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.763 -0.653 . . . . 1.74 109.955 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -84.47 -33.11 23.68 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.241 -1.022 . . . . 3.33 108.241 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 114.905 -1.043 . . . . 3.29 110.527 170.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtm . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.238 0.542 . . . . 2.68 110.754 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.59 176.48 9.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.884 -1.053 . . . . 1.22 110.704 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.26 -45.55 83.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.169 0.509 . . . . 2.47 109.953 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG13 ' A' ' 12' ' ' ILE . 24.9 tp -64.63 -44.39 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.047 -0.979 . . . . 1.81 111.118 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 55.6 mt-10 -66.31 -51.48 56.91 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.078 0.77 . . . . 2.29 113.078 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.5 -34.2 73.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.282 0.563 . . . . 3.54 109.743 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.62 ' OD1' HG13 ' B' ' 15' ' ' ILE . 12.5 t-20 -64.04 -50.15 69.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.161 -0.927 . . . . 1.71 110.194 177.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 8' ' ' LEU . 82.3 mt -59.94 -40.39 82.83 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.32 110.325 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -60.38 -35.34 75.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 1.95 110.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.3 m -62.67 -45.87 90.8 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.127 0.489 . . . . 0.44 110.355 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 ' OD1' ' B' ' 11' ' ' ASN . 31.1 mt -63.01 -48.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.42 111.01 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.26 -42.77 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.763 -0.653 . . . . 0.42 110.702 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.12 -45.32 92.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.665 -0.698 . . . . 1.76 110.924 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.635 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.5 m -62.15 -50.37 72.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.8 111.106 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 9.9 m-30 -57.65 -41.81 82.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.083 0.468 . . . . 3.66 110.254 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.65 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 16.6 m80 -70.82 -37.76 73.23 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.653 -0.703 . . . . 2.82 112.786 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 18' ' ' THR . 3.3 pt20 -64.24 -33.38 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.493 -0.483 . . . . 1.45 110.624 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' HD1' ' O ' ' A' ' 18' ' ' THR . 76.3 m-85 -79.18 -34.22 43.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.963 -0.295 . . . . 1.4 111.433 175.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.65 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 4.0 p -78.14 -33.91 50.16 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.378 0.609 . . . . 1.04 111.443 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 28' ' ' HIS . 5.3 p -73.69 -5.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.69 110.348 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 97.7 mttt -62.47 -24.36 67.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.995 -0.548 . . . . 2.17 110.677 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.49 8.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.469 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.6 -28.01 8.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.776 -0.726 . . . . 1.43 113.65 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.622 ' H ' ' CD ' ' A' ' 29' ' ' PRO . 74.4 t60 176.98 -30.44 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.124 0.787 . . . . 3.7 113.124 -171.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -52.46 155.24 10.17 Favored 'Trans proline' 0 CA--C 1.446 -3.889 0 C-N-CA 124.211 3.274 . . . . 2.64 116.857 -169.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 13.34 24.02 Favored 'General case' 0 C--N 1.247 -3.857 0 O-C-N 120.31 -1.494 . . . . 2.56 109.887 -173.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.598 HG22 ' CA ' ' A' ' 75' ' ' SER . 42.2 p -126.51 139.82 52.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.956 -1.02 . . . . 1.4 111.511 -163.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' HE1' ' A' ' 63' ' ' MET . 89.9 mt -90.65 120.04 31.39 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.137 -0.938 . . . . 0.73 109.052 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 73' ' ' GLN . 26.0 t-20 -81.72 174.99 10.83 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.5 -0.926 . . . . 2.37 108.5 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -48.92 -44.51 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.973 0.509 . . . . 1.42 112.054 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -43.82 72.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.936 -0.649 . . . . 0.44 112.648 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 21.8 mm-40 -69.96 -36.1 74.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.605 0.24 . . . . 2.0 111.289 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 74' ' ' LEU . 88.2 t80 -60.11 -52.48 65.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.948 0.404 . . . . 1.47 110.296 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 26.4 mtpp -55.9 -39.29 71.38 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.46 -0.791 . . . . 1.38 110.288 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 tp10 -65.1 -45.82 83.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.766 0.666 . . . . 1.74 110.868 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' A' ' 79' ' ' PHE . 2.8 tm? -59.93 -54.05 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.707 -0.479 . . . . 1.43 109.707 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.618 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 96.9 t -57.22 -36.28 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 0.4 110.744 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 41.6 ttm180 -67.64 -33.54 75.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.262 -0.881 . . . . 3.25 112.686 -170.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 17.1 ptpt -128.67 -15.82 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.606 0.965 . . . . 2.33 113.606 -172.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 3.2 m-20 -108.23 -32.56 7.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.347 -0.541 . . . . 1.88 111.875 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 89.6 mt -101.98 5.63 40.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.239 0.616 . . . . 0.44 110.895 174.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 12.4 pt20 -50.4 -22.11 1.72 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.758 1.021 . . . . 1.46 113.758 -174.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -103.93 -49.05 3.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.033 0.444 . . . . 2.14 110.017 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -65.03 -36.35 84.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.642 0.734 . . . . 1.91 109.592 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 mt -110.06 24.96 12.33 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.435 -0.802 . . . . 0.61 110.323 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.73 -43.21 17.79 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -63.64 -38.28 90.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.387 0.613 . . . . 1.25 110.468 -179.192 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.38 -32.92 64.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.998 -1.001 . . . . 2.13 109.997 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -70.36 -16.58 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 1.7 110.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.11 -15.31 51.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.425 -0.807 . . . . 3.34 110.966 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -132.35 145.18 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 1.92 110.202 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -76.11 -45.61 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 2.46 111.103 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.85 -25.99 67.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 2.5 112.162 -169.349 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.32 -40.75 73.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.66 109.816 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG21 ' HA ' ' A' ' 38' ' ' LYS . 30.2 mt -63.77 -38.39 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.436 -0.802 . . . . 1.05 109.934 176.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.6 mm-40 -59.76 -38.67 82.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.829 -0.623 . . . . 1.86 110.632 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -66.17 -49.2 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 1.87 110.518 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.97 -34.36 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 1.18 110.115 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.508 ' O ' HD21 ' A' ' 74' ' ' LEU . 12.1 tpt -58.11 -53.46 58.03 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 114.172 -1.376 . . . . 1.05 111.974 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -105.32 -26.85 11.83 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 114.792 -2.763 . . . . 2.37 108.937 -162.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.06 -35.97 67.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.464 -0.335 . . . . 1.93 110.815 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 62.2 mt -78.57 -24.68 45.4 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.591 0.589 . . . . 1.26 112.591 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' HA ' ' A' ' 70' ' ' ALA . 9.9 t70 -65.34 76.99 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.507 1.146 . . . . 1.39 110.231 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 m -70.5 -24.35 62.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.799 -1.546 . . . . 1.98 110.927 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.58 -1.5 57.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.172 0.511 . . . . 2.25 109.635 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . . . 53.1 36.84 23.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.469 -1.241 . . . . 1.15 111.458 173.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -116.3 7.81 14.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 1.95 110.411 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.16 29.1 14.08 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.867 0.841 . . . . 1.64 109.339 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 29.2 mt-30 -143.06 139.27 30.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.16 -1.382 . . . . 1.59 108.973 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' THR . 45.8 mt -106.86 115.69 30.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.063 0.458 . . . . 0.7 111.05 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.598 ' CA ' HG22 ' A' ' 31' ' ' THR . 94.6 p -79.55 172.01 14.37 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.28 -0.873 . . . . 1.42 110.245 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 7.0 p90 -51.89 -40.75 61.18 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.494 -0.321 . . . . 3.07 111.237 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 80' ' ' ILE . 28.1 mm-40 -65.17 -45.58 84.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.992 0.425 . . . . 2.03 111.706 -178.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.38 -44.48 51.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.453 0.644 . . . . 3.18 110.724 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 31.0 t80 -71.98 -29.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 3.12 110.827 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.5 tp -66.15 -38.19 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.263 -0.643 . . . . 2.0 109.263 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 25.9 ttt -54.42 -36.68 64.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.974 -0.557 . . . . 2.01 110.482 172.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 38.3 tp -60.54 -42.22 96.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.934 0.397 . . . . 1.38 110.243 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.41 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 25.6 mmt -61.51 -27.57 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.682 -0.69 . . . . 0.91 110.169 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.738 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -78.18 -42.55 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.35 110.671 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 81' ' ' MET . 33.8 mtp180 -59.32 -36.53 75.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.629 0.728 . . . . 1.67 109.227 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.97 -33.45 61.9 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.05 -0.977 . . . . 1.68 109.984 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 m -65.19 -37.54 87.64 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.371 0.605 . . . . 0.48 109.854 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.671 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.1 t90 -65.45 -39.06 91.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.436 -0.802 . . . . 3.49 109.496 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.86 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.96 0.41 . . . . 1.18 110.851 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m -68.01 -37.85 81.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.078 -0.51 . . . . 1.74 110.819 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -81.18 -16.9 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.094 -0.642 . . . . 3.33 109.813 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 52.5 mm-40 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 3.3 110.699 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.6 mtm . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.294 0.568 . . . . 2.68 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 176.49 9.38 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.904 -1.044 . . . . 1.22 110.687 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -57.43 -45.64 84.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.256 0.551 . . . . 2.47 109.894 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 12' ' ' ILE . 24.8 tp -64.38 -44.47 91.26 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.079 -0.964 . . . . 1.81 111.166 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 55.9 mt-10 -66.29 -51.36 58.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.035 0.754 . . . . 2.28 113.035 -172.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -60.44 -34.48 74.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.205 0.526 . . . . 3.54 109.731 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.614 ' OD1' HG13 ' A' ' 15' ' ' ILE . 12.3 t-20 -63.88 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.067 -0.969 . . . . 1.7 110.186 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 8' ' ' LEU . 81.9 mt -59.8 -40.5 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.33 110.33 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.43 -35.41 75.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.292 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -62.57 -46.14 89.7 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.008 0.432 . . . . 0.44 110.252 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.62 HG13 ' OD1' ' A' ' 11' ' ' ASN . 31.3 mt -62.55 -48.5 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.905 -0.589 . . . . 0.42 111.046 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.25 -42.52 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.42 110.743 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -63.32 -45.54 90.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 1.76 110.885 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 m -61.89 -50.66 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.8 111.166 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.437 ' CZ ' HG23 ' B' ' 15' ' ' ILE . 9.9 m-30 -57.19 -42.31 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 3.66 110.231 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.63 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 16.1 m80 -70.29 -37.92 74.91 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.674 -0.694 . . . . 2.83 112.764 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 18' ' ' THR . 3.3 pt20 -64.24 -33.31 75.53 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.589 -0.444 . . . . 1.45 110.577 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.508 ' HD1' ' O ' ' B' ' 18' ' ' THR . 77.3 m-85 -79.23 -34.12 43.03 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.5 -0.318 . . . . 1.4 111.468 175.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 3.9 p -78.61 -33.64 47.3 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.309 0.576 . . . . 1.04 111.318 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' B' ' 28' ' ' HIS . 5.1 p -73.24 -5.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.704 -0.68 . . . . 0.69 110.2 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 97.3 mttt -62.56 -24.13 67.36 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.03 -0.532 . . . . 2.17 110.612 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.42 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 2.04 110.316 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.66 -29.22 7.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.976 -0.631 . . . . 1.43 113.368 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.637 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 73.5 t60 179.59 -33.69 0.0 OUTLIER Pre-proline 0 CA--C 1.575 1.942 0 N-CA-C 113.524 0.935 . . . . 3.7 113.524 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' H ' ' B' ' 28' ' ' HIS . 3.9 Cg_exo -45.27 155.3 0.4 Allowed 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 125.236 3.957 . . . . 2.64 115.83 -172.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.43 11.31 28.85 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.742 -1.117 . . . . 2.56 110.193 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.604 HG22 ' CA ' ' B' ' 75' ' ' SER . 46.6 p -126.84 142.13 51.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.968 -1.015 . . . . 1.4 111.778 -163.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HE1' ' B' ' 63' ' ' MET . 86.3 mt -92.2 119.83 32.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.121 -0.945 . . . . 0.73 109.156 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' HG2' ' B' ' 73' ' ' GLN . 26.2 t-20 -81.64 174.22 11.59 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.471 -0.937 . . . . 2.37 108.471 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.64 -44.09 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.842 0.457 . . . . 1.42 111.873 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 -43.29 69.39 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.336 -0.935 . . . . 0.44 112.446 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' B' ' 25' ' ' LYS . 20.6 mm-40 -70.13 -36.22 74.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.656 0.265 . . . . 2.01 111.185 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.441 ' CD2' HD12 ' B' ' 74' ' ' LEU . 88.1 t80 -59.88 -52.62 64.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.47 110.343 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 26.4 mtpp -55.85 -39.15 71.05 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.395 -0.821 . . . . 1.39 110.369 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 5.6 tp10 -65.18 -45.9 83.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.756 0.66 . . . . 1.75 110.754 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' B' ' 79' ' ' PHE . 2.8 tm? -59.99 -53.89 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 1.43 109.722 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 97.0 t -57.27 -36.35 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.472 0.653 . . . . 0.4 110.767 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' B' ' 38' ' ' LYS . 41.6 ttm180 -67.67 -33.35 74.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.122 -0.944 . . . . 3.25 112.723 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 17.1 ptpt -128.79 -15.74 4.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.589 0.959 . . . . 2.33 113.589 -172.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 3.3 m-20 -108.44 -32.43 7.43 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.32 -0.552 . . . . 1.87 111.95 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 89.6 mt -101.96 5.75 40.93 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.252 0.621 . . . . 0.44 110.864 174.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 12.4 pt20 -50.54 -22.25 1.89 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.644 0.979 . . . . 1.46 113.644 -174.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -103.77 -49.06 3.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.948 0.404 . . . . 2.14 109.964 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -65.01 -36.19 83.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.63 0.729 . . . . 1.92 109.637 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.23 25.03 12.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.416 -0.811 . . . . 0.61 110.267 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -46.76 -43.36 18.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.212 0.449 . . . . 2.15 112.212 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -63.27 -38.33 90.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.501 0.667 . . . . 1.25 110.573 -179.281 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.42 -33.01 64.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.983 -1.008 . . . . 2.13 109.95 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -70.36 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.715 0.769 . . . . 1.7 110.072 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -82.96 -15.67 50.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.447 -0.797 . . . . 3.34 110.928 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -132.08 145.07 51.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 1.92 110.184 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 42.2 mt-10 -75.97 -45.63 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.088 0.47 . . . . 2.46 111.123 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.445 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -65.83 -26.05 67.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.448 -0.796 . . . . 2.5 112.138 -169.269 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.32 -40.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.733 -0.469 . . . . 0.66 109.733 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' B' ' 38' ' ' LYS . 30.3 mt -63.74 -38.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.425 -0.807 . . . . 1.05 109.955 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 25.9 mm-40 -59.55 -38.72 81.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.658 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -66.16 -49.23 68.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.556 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.83 -34.47 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.426 0.631 . . . . 1.18 110.135 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.509 ' O ' HD21 ' B' ' 74' ' ' LEU . 12.0 tpt -58.11 -53.46 58.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.233 -1.349 . . . . 1.05 111.957 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -105.24 -26.9 11.85 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 114.779 -2.769 . . . . 2.36 108.864 -162.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.0 -35.84 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.002 -0.279 . . . . 1.93 110.911 169.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.572 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 61.6 mt -78.64 -24.91 44.99 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.564 0.579 . . . . 1.26 112.564 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.441 ' OD1' ' HA ' ' B' ' 70' ' ' ALA . 9.7 t70 -65.13 76.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.503 1.144 . . . . 1.4 110.344 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -70.25 -24.61 63.1 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.845 -1.525 . . . . 1.98 110.847 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.33 -1.58 57.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.233 0.54 . . . . 2.25 109.633 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . . . 53.32 36.58 23.22 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 114.55 -1.205 . . . . 1.14 111.468 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.22 8.12 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.729 -0.669 . . . . 1.95 110.392 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.9 29.31 14.56 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.773 0.797 . . . . 1.64 109.399 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' B' ' 31' ' ' THR . 29.3 mt-30 -143.25 139.14 30.07 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.252 -1.34 . . . . 1.59 108.983 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' B' ' 31' ' ' THR . 45.2 mt -107.03 115.28 29.91 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.7 110.988 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' SER . . . . . 0.604 ' CA ' HG22 ' B' ' 31' ' ' THR . 95.0 p -79.09 172.22 14.11 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.279 -0.873 . . . . 1.41 110.215 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.676 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 6.8 p90 -52.23 -40.61 61.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.617 -0.265 . . . . 3.06 111.187 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 80' ' ' ILE . 28.6 mm-40 -65.13 -45.6 84.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 2.04 111.768 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.37 -44.57 51.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.297 0.57 . . . . 3.18 110.672 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 30.7 t80 -71.86 -30.0 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.312 -0.404 . . . . 3.12 110.802 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.738 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.4 tp -66.13 -38.02 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.369 -0.604 . . . . 2.0 109.369 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.589 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 25.8 ttt -54.76 -36.32 64.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.01 110.436 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' B' ' 66' ' ' LEU . 37.8 tp -60.76 -42.18 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 1.38 110.217 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.417 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 25.5 mmt -61.74 -27.39 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.91 110.089 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -78.27 -42.57 30.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.35 110.695 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 81' ' ' MET . 33.4 mtp180 -59.3 -36.6 75.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.603 0.716 . . . . 1.67 109.227 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.84 -33.26 62.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.913 -1.04 . . . . 1.68 110.135 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -65.3 -37.51 87.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.276 0.56 . . . . 0.48 109.745 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.669 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t90 -65.49 -39.14 91.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.551 -0.75 . . . . 3.49 109.545 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.16 80.2 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.25 -0.432 . . . . 1.18 110.869 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.1 m -67.99 -37.99 82.14 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.105 -0.498 . . . . 1.74 110.742 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -80.86 -17.32 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.183 -0.607 . . . . 3.33 109.758 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 48.3 mm-40 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.606 -0.27 . . . . 3.29 110.713 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.602 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 3.6 mpp? . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 121.547 0.689 . . . . 2.68 110.587 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 52.1 m -110.17 179.8 4.0 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.669 -1.15 . . . . 1.22 109.016 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.96 -39.27 85.03 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.915 0.388 . . . . 2.47 111.794 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -71.0 -49.66 42.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.687 0.625 . . . . 1.81 112.687 -164.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 6' ' ' SER . 0.3 OUTLIER -70.01 -39.62 75.74 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.98 0.355 . . . . 2.29 111.797 -173.001 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -60.06 -34.71 73.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.109 0.48 . . . . 3.54 110.328 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.99 -37.47 81.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 1.71 110.521 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.9 mt -63.08 -48.57 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.32 110.676 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.99 -36.6 79.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.464 -0.334 . . . . 1.95 110.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -61.79 -41.15 97.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.361 0.6 . . . . 0.44 110.257 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' B' ' 15' ' ' ILE . 28.6 mt -66.56 -48.25 80.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 0.42 110.774 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.94 -41.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.857 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.267 -0.424 . . . . 1.76 111.758 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.75 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.5 m -68.35 -50.51 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.775 -0.454 . . . . 0.8 109.775 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -55.88 -39.83 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.619 -0.512 . . . . 3.66 109.619 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.473 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 59.3 t-80 -57.19 -44.97 84.12 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.209 -0.905 . . . . 2.82 112.272 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.75 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.7 pt20 -67.29 -33.5 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.166 0.439 . . . . 1.45 111.125 -176.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 97.6 m-85 -76.18 -36.56 58.64 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.224 -0.59 . . . . 1.4 110.02 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 17.7 p -77.9 -32.94 52.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.235 0.54 . . . . 1.04 111.413 -176.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.6 p -70.58 -3.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 0.69 111.419 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD2' ' CG ' ' A' ' 36' ' ' GLU . 67.8 mttm -64.02 -26.15 68.44 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.118 -0.492 . . . . 2.17 109.772 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' A' ' 33' ' ' ASN . 6.7 mp -90.39 12.8 17.31 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.14 -0.482 . . . . 2.04 112.057 175.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.03 -116.12 5.06 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 120.719 -0.753 . . . . 1.43 111.464 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -62.48 106.94 0.96 Allowed Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 106.841 -1.54 . . . . 3.7 106.841 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.68 ' O ' ' HB2' ' A' ' 23' ' ' SER . 49.8 Cg_endo -76.08 44.14 1.27 Allowed 'Trans proline' 0 CA--C 1.516 -0.396 0 CA-C-O 116.917 -1.368 . . . . 2.64 115.499 -153.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.62 1.81 6.11 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 123.269 2.759 . . . . 2.56 113.631 -150.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.599 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 1.7 t -157.31 159.4 37.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.02 0.528 . . . . 1.4 111.74 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 mt -99.16 119.95 38.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.884 -1.154 . . . . 0.73 107.884 159.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' A' ' 26' ' ' LEU . 9.4 p30 -81.07 174.0 12.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.547 -0.861 . . . . 2.37 110.065 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 48.5 tt0 -49.75 -43.88 48.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.623 0.577 . . . . 1.42 111.976 -175.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.81 47.0 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.434 -0.889 . . . . 0.44 111.698 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.55 -37.58 77.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.425 . . . . 2.0 111.178 -178.482 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.86 -52.35 57.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 1.47 110.558 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.8 mtpp -56.84 -45.14 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.115 -0.493 . . . . 1.38 110.852 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 33.0 tt0 -62.77 -45.37 92.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.716 0.294 . . . . 1.74 110.87 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.48 -49.47 77.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.55 -0.537 . . . . 1.43 109.55 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.0 t -59.93 -37.34 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.635 -0.711 . . . . 0.4 110.833 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 77.7 mtp180 -70.59 -29.4 65.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.392 0.516 . . . . 3.25 112.392 -175.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 36.6 mtmt -104.29 -56.52 2.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.64 0.607 . . . . 2.33 112.64 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.94 -42.49 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.492 -0.483 . . . . 1.88 111.037 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 77.8 mt -94.44 2.71 55.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.274 -0.421 . . . . 0.44 111.416 -175.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 11.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.054 0.542 . . . . 1.46 112.005 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 19.4 p-10 -97.42 -46.58 6.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.664 -0.698 . . . . 2.14 111.35 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' B' ' 9' ' ' GLU . 2.7 m-85 -72.09 -34.28 68.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.343 0.592 . . . . 1.91 110.596 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -104.21 24.02 12.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.803 -0.814 . . . . 0.61 108.803 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.4 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.283 0.845 . . . . 2.16 113.283 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.617 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -57.76 -37.51 73.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.446 0.641 . . . . 1.25 110.653 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.8 tt0 -74.55 -33.88 62.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.171 -0.922 . . . . 2.13 110.942 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.414 HD21 ' HG2' ' A' ' 42' ' ' ARG . 4.9 t-20 -65.8 -18.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.7 110.943 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -4.55 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.102 -0.499 . . . . 3.34 110.991 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.49 145.72 51.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.842 -0.429 . . . . 1.92 109.842 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.8 mp0 -85.89 -43.62 13.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.46 110.503 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -58.7 -28.61 65.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 2.5 111.913 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 3.9 t -71.43 -38.3 68.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.66 109.992 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 mt -70.93 -35.08 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 1.05 109.776 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 21.0 mm-40 -57.44 -35.71 70.45 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.305 0.574 . . . . 1.86 109.796 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -63.87 -48.84 75.09 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.399 -0.819 . . . . 1.87 110.199 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 82' ' ' LEU . 31.0 mt -62.87 -34.86 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.714 0.768 . . . . 1.18 109.827 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.1 tpt -57.98 -37.86 75.01 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.425 -1.716 . . . . 1.05 111.86 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.7 tt0 -120.86 -30.52 4.4 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 115.561 -2.456 . . . . 2.37 111.364 -177.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.61 -34.88 67.65 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.622 -0.431 . . . . 1.93 110.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 85' ' ' ARG . 22.7 mt -81.56 -29.49 33.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.787 -0.365 . . . . 1.26 111.404 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 63.3 t0 -70.59 89.43 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.771 0.796 . . . . 1.39 111.061 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.0 m -60.43 -22.55 63.54 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.537 -1.21 . . . . 1.98 111.431 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.55 -6.31 49.89 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.587 -0.445 . . . . 2.25 110.681 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.19 33.9 10.33 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.244 -0.889 . . . . 1.15 113.037 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -117.13 18.44 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.746 -0.207 . . . . 1.95 110.769 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 65.05 38.55 6.12 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.934 0.771 . . . . 1.64 109.441 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.599 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 94.5 mt-30 -142.71 141.44 31.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.055 -0.975 . . . . 1.59 110.466 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 62.2 mt -114.91 114.5 25.56 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.446 -0.502 . . . . 0.7 110.5 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 m -77.02 166.3 23.49 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.959 -0.756 . . . . 1.42 108.959 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.693 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 22.7 p90 -52.32 -40.63 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.909 0.707 . . . . 3.07 112.909 -175.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 80' ' ' ILE . 35.3 mt-10 -69.8 -29.27 66.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 2.03 111.452 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 66' ' ' LEU . 18.8 mm-40 -76.66 -48.81 17.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.149 0.499 . . . . 3.18 109.752 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.693 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 2.1 p90 -73.38 -25.41 60.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.186 -0.605 . . . . 3.12 111.135 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.5 tp -65.07 -40.94 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.059 -0.656 . . . . 2.0 109.67 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.636 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 85.4 mmm -53.26 -37.21 61.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.711 -0.222 . . . . 2.01 111.075 170.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 53.6 tp -58.45 -40.31 82.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.909 0.385 . . . . 1.38 110.203 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 mmt -63.87 -26.84 68.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.955 -0.566 . . . . 0.91 110.01 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -79.57 -36.85 37.62 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.35 110.327 175.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -64.67 -36.28 83.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.527 0.68 . . . . 1.67 109.368 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.0 tp -77.19 -28.32 53.89 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.439 -0.801 . . . . 1.68 109.612 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.8 m -65.82 -32.13 73.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.573 -0.529 . . . . 0.48 109.573 171.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.7 t90 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.518 -0.549 . . . . 3.49 109.518 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.12 -32.73 74.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 1.18 110.421 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.95 -36.18 75.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.675 . . . . 1.74 109.683 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -64.55 -39.03 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.335 -0.848 . . . . 3.33 110.878 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.0 pt-20 . . . . . 0 C--N 1.319 -0.722 0 CA-C-N 116.42 -0.355 . . . . 3.3 111.463 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' MET . . . . . 0.605 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 3.6 mpp? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.619 0.724 . . . . 2.68 110.486 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.55 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 55.7 m -110.85 179.74 3.97 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.713 -1.131 . . . . 1.22 109.144 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.89 -39.33 84.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.938 0.399 . . . . 2.47 111.639 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.613 ' O ' HG13 ' B' ' 12' ' ' ILE . 0.8 OUTLIER -71.12 -49.61 42.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.665 0.617 . . . . 1.81 112.665 -164.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.03 -39.55 75.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.99 0.359 . . . . 2.28 111.875 -172.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -60.06 -34.78 73.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 3.54 110.343 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -67.95 -37.47 81.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 1.7 110.595 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.613 HG13 ' O ' ' B' ' 8' ' ' LEU . 69.3 mt -63.08 -48.56 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.333 -0.394 . . . . 0.33 110.776 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.71 -36.72 79.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 1.95 111.018 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.6 m -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.44 110.284 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 15' ' ' ILE . 28.0 mt -66.45 -48.2 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.817 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.13 -41.42 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 0.42 110.83 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -69.43 -30.87 68.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.22 -0.445 . . . . 1.76 111.863 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.0 m -68.49 -50.59 51.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.802 -0.444 . . . . 0.8 109.802 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' B' ' 32' ' ' LEU . 25.2 m-85 -55.79 -39.75 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.142 0.496 . . . . 3.66 109.675 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' HIS . . . . . 0.472 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 59.3 t-80 -57.25 -44.85 84.26 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.249 -0.887 . . . . 2.83 112.404 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.754 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.7 pt20 -67.26 -33.72 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 118.035 0.38 . . . . 1.45 111.144 -176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.545 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 97.5 m-85 -76.01 -36.51 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.128 -0.629 . . . . 1.4 110.034 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.677 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 18.4 p -77.94 -32.83 51.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 1.04 111.51 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -70.72 -3.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.69 111.316 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.588 ' HD2' ' CG ' ' B' ' 36' ' ' GLU . 67.7 mttm -63.82 -26.36 68.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.095 -0.502 . . . . 2.17 109.712 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' B' ' 33' ' ' ASN . 6.7 mp -90.22 12.72 17.22 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.194 -0.457 . . . . 2.04 112.075 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.14 -116.1 5.07 Favored Glycine 0 C--O 1.228 -0.278 0 C-N-CA 120.724 -0.751 . . . . 1.43 111.307 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -62.63 106.91 0.97 Allowed Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 106.784 -1.562 . . . . 3.7 106.784 167.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' B' ' 23' ' ' SER . 50.2 Cg_endo -76.06 44.03 1.25 Allowed 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-O 116.901 -1.375 . . . . 2.64 115.571 -153.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -71.6 1.47 6.58 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 123.3 2.773 . . . . 2.56 113.568 -150.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 1.7 t -156.97 159.34 37.96 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.175 0.59 . . . . 1.4 111.794 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' B' ' 19' ' ' PHE . 54.3 mt -99.05 120.06 38.84 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.868 -1.16 . . . . 0.73 107.868 159.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' B' ' 26' ' ' LEU . 9.4 p30 -81.21 173.94 12.03 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.518 -0.873 . . . . 2.37 110.037 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.92 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 48.2 tt0 -49.61 -44.04 46.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.698 0.624 . . . . 1.42 112.003 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.91 46.54 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.457 -0.877 . . . . 0.44 111.654 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.588 ' CG ' ' HD2' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -69.28 -37.51 77.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.369 . . . . 2.01 111.212 -178.493 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.87 -52.36 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.377 -0.374 . . . . 1.47 110.552 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 27.8 mtpp -56.95 -45.17 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.146 -0.479 . . . . 1.39 110.911 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 33.3 tt0 -62.69 -45.27 93.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 1.75 110.944 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.49 -49.52 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.597 -0.52 . . . . 1.43 109.597 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 76.2 t -59.82 -37.36 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.601 -0.727 . . . . 0.4 110.832 177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.661 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 77.4 mtp180 -70.61 -29.4 65.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.378 0.51 . . . . 3.25 112.378 -175.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 36.6 mtmt -104.36 -56.39 2.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.692 0.627 . . . . 2.33 112.692 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.95 -42.65 17.37 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.62 -0.432 . . . . 1.87 110.957 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 78.1 mt -94.27 2.6 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.44 111.469 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.661 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 11.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.019 0.528 . . . . 1.46 111.918 -175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASN . . . . . 0.602 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 19.5 p-10 -97.49 -46.44 6.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.733 -0.667 . . . . 2.14 111.311 -177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' GLU . 2.7 m-85 -72.17 -34.51 68.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.312 0.577 . . . . 1.92 110.508 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.96 24.04 11.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.816 -0.809 . . . . 0.61 108.816 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.44 4.64 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.249 0.833 . . . . 2.15 113.249 -171.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LYS . . . . . 0.616 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -57.81 -37.24 73.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.363 0.601 . . . . 1.25 110.746 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.2 tt0 -74.77 -33.76 62.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.179 -0.919 . . . . 2.13 111.073 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.409 HD21 ' HG2' ' B' ' 42' ' ' ARG . 5.0 t-20 -65.91 -18.0 65.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 1.7 111.023 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.11 -4.88 57.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 3.34 110.968 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.19 145.63 51.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.911 -0.403 . . . . 1.92 109.911 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 mp0 -85.9 -43.8 12.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 2.46 110.474 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -58.69 -28.25 65.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 2.5 112.037 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 3.9 t -71.68 -38.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.224 0.535 . . . . 0.66 110.071 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -71.2 -35.06 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 1.05 109.852 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 21.0 mm-40 -57.3 -35.9 70.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.238 0.542 . . . . 1.85 109.774 174.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -63.76 -48.89 75.16 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.425 -0.807 . . . . 1.87 110.185 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.46 HG21 HD13 ' B' ' 82' ' ' LEU . 30.8 mt -62.76 -34.94 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.838 0.828 . . . . 1.18 109.872 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.1 tpt -57.93 -37.55 74.31 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 113.385 -1.734 . . . . 1.05 111.912 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 27.7 tt0 -121.09 -30.55 4.33 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 115.466 -2.494 . . . . 2.36 111.298 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.79 -34.4 67.62 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.541 -0.464 . . . . 1.93 110.652 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 85' ' ' ARG . 22.8 mt -82.01 -29.14 32.17 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.769 -0.372 . . . . 1.26 111.457 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 63.1 t0 -70.8 89.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.915 0.864 . . . . 1.4 111.037 -174.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 86.0 m -60.78 -22.55 64.21 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.317 -1.31 . . . . 1.98 111.401 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.6 -6.19 50.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 2.25 110.604 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.0 33.79 9.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.261 -0.881 . . . . 1.14 113.133 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.02 18.17 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.648 0.261 . . . . 1.95 110.605 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 34' ' ' GLN . 0.2 OUTLIER 65.18 38.6 5.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.669 -0.696 . . . . 1.64 109.352 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.597 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 94.0 mt-30 -142.8 141.26 31.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.979 -1.01 . . . . 1.59 110.532 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 61.4 mt -114.64 114.59 25.88 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.9 -0.5 . . . . 0.7 110.527 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 5.7 m -77.03 166.41 23.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.007 -0.738 . . . . 1.41 109.007 175.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.704 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 22.7 p90 -52.34 -40.59 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.885 0.698 . . . . 3.06 112.885 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.464 ' O ' HG22 ' B' ' 80' ' ' ILE . 35.3 mt-10 -69.78 -29.43 66.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 2.04 111.482 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.415 ' O ' HD13 ' B' ' 66' ' ' LEU . 18.8 mm-40 -76.56 -48.75 18.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.22 0.533 . . . . 3.18 109.75 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.704 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 2.2 p90 -73.27 -25.38 60.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.137 -0.625 . . . . 3.12 111.181 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.5 tp -65.21 -40.84 90.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 2.0 109.623 176.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.634 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 85.6 mmm -53.23 -37.38 62.01 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.739 -0.209 . . . . 2.01 110.997 170.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 53.7 tp -58.45 -40.3 82.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.948 0.404 . . . . 1.38 110.172 175.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.76 -26.86 68.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.015 -0.539 . . . . 0.91 110.012 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -79.5 -37.03 37.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.945 0.402 . . . . 0.35 110.36 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.9 mtp180 -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.511 0.672 . . . . 1.67 109.384 176.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -77.32 -28.3 53.12 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 115.467 -0.788 . . . . 1.68 109.598 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -65.74 -32.03 73.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.599 -0.519 . . . . 0.48 109.599 171.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' TRP . . . . . 0.505 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 24.8 t90 -66.86 -36.14 81.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.459 -0.571 . . . . 3.49 109.459 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.0 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 1.18 110.386 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.72 -36.12 75.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.667 -0.697 . . . . 1.74 109.559 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.74 -38.64 91.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.392 -0.822 . . . . 3.33 110.889 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.1 pt-20 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.307 -0.406 . . . . 3.29 111.468 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttm . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.821 0.343 . . . . 9.06 110.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -77.53 -36.44 52.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 6.86 110.14 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -93.13 81.42 4.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.159 0.504 . . . . 5.23 110.336 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' B' ' 47' ' ' ASN . 45.8 tptt -58.85 -41.56 87.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.418 -0.81 . . . . 2.34 110.214 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.57 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 40.7 mtp -47.7 150.33 1.06 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.49 -1.232 . . . . 2.68 112.533 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -119.21 175.94 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 1.22 109.879 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -64.5 -48.01 76.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.926 0.394 . . . . 2.47 110.769 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.746 HD21 ' HB ' ' B' ' 18' ' ' THR . 34.0 mt -69.31 -41.37 76.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.038 -0.528 . . . . 1.81 111.365 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' OE1' ' HG2' ' A' ' 5' ' ' MET . 2.8 tm-20 -63.51 -50.01 71.29 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.182 0.301 . . . . 2.29 110.763 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtm180 -55.95 -42.64 76.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.199 0.523 . . . . 3.54 110.514 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.482 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.0 m-80 -62.04 -39.39 92.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.46 -0.791 . . . . 1.71 111.525 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 8' ' ' LEU . 66.8 mt -67.88 -46.96 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.949 -0.389 . . . . 0.32 109.949 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.34 -44.11 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.95 110.147 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.406 ' HB ' ' OD1' ' B' ' 11' ' ' ASN . 47.1 m -59.06 -41.12 87.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.451 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.741 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 20.2 mt -65.56 -49.59 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.742 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 90' ' ' SER . 96.8 mt -54.41 -52.82 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.53 -0.759 . . . . 0.42 111.626 -178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -70.53 -32.87 70.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.323 -0.551 . . . . 1.76 112.207 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.771 ' HB ' HD21 ' B' ' 8' ' ' LEU . 8.8 m -75.85 -47.59 24.95 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.281 -0.568 . . . . 0.8 110.391 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -53.48 -41.05 65.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.317 -0.623 . . . . 3.66 109.317 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.427 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 35.6 m170 -69.39 -21.92 63.75 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.465 -0.789 . . . . 2.82 112.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt20 -68.88 -31.57 70.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.996 0.817 . . . . 1.45 109.049 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' A' ' 40' ' ' LEU . 93.7 m-85 -77.66 -30.83 52.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 1.4 110.003 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 29' ' ' PRO . 2.4 m -76.71 -29.72 56.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.538 0.685 . . . . 1.04 111.161 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.8 p -78.04 -3.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.69 111.569 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.2 -23.81 67.45 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.531 . . . . 2.17 110.598 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -88.74 -6.86 57.14 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.226 0.454 . . . . 2.04 112.226 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.96 -120.51 4.5 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.346 -0.701 . . . . 1.43 111.346 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -60.64 112.73 6.06 Favored Pre-proline 0 C--O 1.231 0.116 0 N-CA-C 106.111 -1.811 . . . . 3.7 106.111 166.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 66.8 Cg_endo -75.13 39.78 0.62 Allowed 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 115.155 1.175 . . . . 2.64 115.155 -153.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.59 2.82 5.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.98 2.173 . . . . 2.56 113.472 -147.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.735 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 11.9 t -157.82 173.1 17.32 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 123.158 0.583 . . . . 1.4 111.145 -168.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.37 118.41 30.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.382 -0.969 . . . . 0.73 108.382 158.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -82.74 -176.81 6.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.644 -0.822 . . . . 2.37 109.088 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' A' ' 63' ' ' MET . 35.7 tt0 -51.93 -45.69 64.41 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.5 -0.318 . . . . 1.42 111.757 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -40.2 48.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.671 -0.776 . . . . 0.44 112.415 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.6 -40.18 76.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.71 -0.245 . . . . 2.0 110.725 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.87 -46.2 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 1.47 110.912 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HA ' HG21 ' A' ' 59' ' ' ILE . 59.6 mtpt -57.78 -46.48 84.52 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.362 -0.381 . . . . 1.38 110.683 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 41.1 tt0 -62.11 -45.85 91.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 1.74 110.819 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.0 tm? -51.72 -53.64 37.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 1.43 110.207 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 95.9 t -64.4 -37.49 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.36 0.6 . . . . 0.4 110.536 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 39.9 ttm180 -67.89 -29.23 68.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.649 -0.705 . . . . 3.25 111.631 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -98.46 -53.53 3.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.309 0.485 . . . . 2.33 112.309 -175.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' B' ' 8' ' ' LEU . 1.7 m-20 -95.92 -41.19 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.698 0.629 . . . . 1.88 112.698 -172.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 72.1 mt -88.0 1.96 52.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.44 110.41 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.4 pt20 -52.06 -21.6 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.023 -0.99 . . . . 1.46 111.775 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 2.2 p30 -97.56 -49.68 4.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.162 -0.472 . . . . 2.14 111.284 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' O ' HD13 ' A' ' 109' ' ' LEU . 1.5 m-30 -69.86 -35.25 74.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.457 0.646 . . . . 1.91 110.751 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.3 22.71 15.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.742 -0.663 . . . . 0.61 109.79 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 11.1 ptmt -48.8 -42.51 36.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.899 0.703 . . . . 2.16 112.899 -174.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HD2' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -62.61 -36.76 83.78 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.651 0.739 . . . . 1.25 110.098 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.4 tt0 -75.19 -32.75 61.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.704 -1.134 . . . . 2.13 110.064 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.464 ' OD1' ' HA ' ' A' ' 42' ' ' ARG . 6.4 t30 -65.78 -16.77 64.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.117 -0.947 . . . . 1.7 111.286 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -80.86 -13.99 58.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 3.34 110.247 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -125.58 145.35 50.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.749 -0.463 . . . . 1.92 109.749 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -89.23 -33.53 16.96 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.922 0.392 . . . . 2.46 110.558 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.95 -30.04 70.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 2.5 111.725 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 11.7 t -68.86 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.66 109.53 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 38' ' ' LYS . 58.1 mt -66.95 -37.81 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.337 -0.847 . . . . 1.05 110.013 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.14 -35.4 73.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.034 -0.53 . . . . 1.86 110.887 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -63.06 -49.06 76.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.447 -0.342 . . . . 1.87 110.118 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' A' ' 66' ' ' LEU . 54.0 mt -65.86 -34.49 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.532 0.682 . . . . 1.18 110.314 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -52.88 -50.87 62.97 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.808 -1.542 . . . . 1.05 110.361 176.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 67' ' ' ASP . 34.0 tt0 -112.71 -28.72 7.68 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 115.399 -2.521 . . . . 2.37 110.431 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.87 -39.4 81.25 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.922 -0.486 . . . . 1.93 111.392 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 62' ' ' ILE . 10.9 mp -77.02 -15.97 59.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.805 0.336 . . . . 1.26 111.322 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB3' ' O ' ' A' ' 64' ' ' GLU . 7.7 t70 -68.5 78.37 0.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.295 1.045 . . . . 1.39 109.887 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.0 p -69.06 -27.89 66.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.121 -1.399 . . . . 1.98 111.44 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.5 -0.7 56.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.72 . . . . 2.25 109.709 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.512 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . . . 56.61 41.72 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.681 -1.145 . . . . 1.15 113.454 166.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.34 10.79 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.865 0.364 . . . . 1.95 110.635 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER 63.63 38.9 9.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.962 0.887 . . . . 1.64 108.826 -176.432 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.735 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt-30 -143.21 166.57 24.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.863 -1.517 . . . . 1.59 108.528 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 73' ' ' GLN . 50.9 mt -129.67 113.13 14.39 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.474 -0.491 . . . . 0.7 110.49 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -76.16 170.42 16.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.301 -0.863 . . . . 1.42 108.983 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 3.9 m-85 -49.74 -44.65 48.7 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.168 0.293 . . . . 3.07 111.216 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . 43.5 mt-10 -67.86 -33.67 75.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.964 0.411 . . . . 2.03 111.708 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 81' ' ' MET . 32.1 mt-10 -76.15 -47.49 24.09 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.284 0.564 . . . . 3.18 110.42 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 2.4 p90 -71.39 -26.76 62.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 119.039 -1.064 . . . . 3.12 110.446 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.774 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.2 tp -65.8 -40.09 86.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.182 -0.607 . . . . 2.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.0 ptp -63.92 -26.23 68.5 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.627 -0.429 . . . . 2.01 110.497 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.2 tm? -57.86 -43.37 85.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.136 -0.69 . . . . 1.38 109.136 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.4 -24.87 68.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.984 -0.553 . . . . 0.91 111.501 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.775 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -76.59 -38.25 55.14 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.897 0.38 . . . . 0.35 110.506 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' MET . 22.3 mtp-105 -59.34 -42.79 92.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.996 0.903 . . . . 1.67 108.714 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.6 tp -72.29 -26.54 62.01 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 114.43 -1.259 . . . . 1.68 110.136 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.408 ' HA ' HD13 ' B' ' 16' ' ' ILE . 26.0 m -65.67 -36.24 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.591 -0.277 . . . . 0.48 110.499 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 91.2 t90 -66.48 -37.62 85.51 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.412 -0.588 . . . . 3.49 109.412 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.85 89.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.563 . . . . 1.18 110.796 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.497 ' HB2' HD13 ' B' ' 16' ' ' ILE . 18.1 m -73.75 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.182 -0.463 . . . . 1.74 110.611 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.6 t-80 -67.8 -36.02 79.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.015 -0.735 . . . . 3.33 109.015 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.9 mm-40 -73.77 -30.41 62.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.778 -1.101 . . . . 3.3 110.489 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.633 ' O ' ' HD2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -80.52 -21.61 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.405 0.622 . . . . 5.63 109.351 176.424 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 50.3 ttp -64.15 -25.94 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 5.55 110.482 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -79.18 69.45 5.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.517 -0.549 . . . . 5.1 109.517 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 41.9 tt0 -62.57 119.73 9.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.541 0.686 . . . . 5.97 110.337 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.66 56.61 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 114.322 -1.308 . . . . 7.17 112.407 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 27.8 t70 -67.87 -18.92 64.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 111.935 0.346 . . . . 9.86 111.935 -170.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -76.64 -27.69 55.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.144 0.497 . . . . 8.93 110.654 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 170.67 88.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 110.562 -1.015 . . . . 6.76 110.562 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -72.99 135.31 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.588 2.192 . . . . 7.95 114.138 -167.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.13 -36.02 2.05 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.209 -1.556 . . . . 10.53 109.209 164.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -152.8 133.52 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.235 -1.024 . . . . 12.94 108.235 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -97.5 127.61 43.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.326 0.584 . . . . 8.25 111.691 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -100.62 158.86 15.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.445 -0.946 . . . . 8.24 108.445 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.469 ' HB2' ' HA2' ' A' ' 110' ' ' GLY . 25.9 mtpp -74.49 144.24 80.57 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 121.084 0.468 . . . . 6.23 111.267 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.492 ' O ' ' HB2' ' A' ' 111' ' ' GLU . 97.2 Cg_exo -48.45 151.77 4.48 Favored 'Trans proline' 0 C--O 1.204 -1.192 0 C-N-CA 124.307 3.338 . . . . 2.91 116.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.88 -45.83 0.01 OUTLIER Glycine 0 C--N 1.305 -1.185 0 C-N-CA 128.692 3.044 . . . . 3.18 118.308 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -145.48 -49.74 0.24 Allowed 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 120.364 2.082 . . . . 2.15 108.317 145.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 106' ' ' LYS . . . -132.16 8.56 5.39 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 111.963 -2.38 . . . . 2.79 111.944 -175.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -76.47 152.28 36.18 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.143 0.977 . . . . 3.67 113.136 -163.126 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.25 110.51 2.76 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.511 -1.036 . . . . 2.84 110.511 170.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.2 p -127.42 123.61 23.27 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.562 0.181 . . . . 3.88 111.079 -175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 C--O 1.251 1.14 0 C-N-CA 122.699 2.266 . . . . 5.2 111.456 174.355 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.829 0.347 . . . . 9.07 110.623 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -77.23 -36.64 54.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.267 -0.424 . . . . 6.86 110.185 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.0 p -92.79 81.5 4.69 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.228 0.537 . . . . 5.24 110.299 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.438 ' HG3' ' HB3' ' A' ' 47' ' ' ASN . 45.9 tptt -58.98 -41.64 88.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.369 -0.832 . . . . 2.34 110.098 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.606 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 40.4 mtp -47.44 150.84 0.86 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.688 -1.142 . . . . 2.68 112.489 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.59 175.79 5.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.558 . . . . 1.22 109.837 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -64.22 -47.97 77.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.781 0.324 . . . . 2.47 110.902 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB ' ' A' ' 18' ' ' THR . 33.2 mt -69.4 -41.34 76.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.08 -0.509 . . . . 1.81 111.372 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.53 ' OE1' ' HG2' ' B' ' 5' ' ' MET . 2.8 tm-20 -63.56 -50.08 70.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 123.201 0.313 . . . . 2.28 110.679 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -55.98 -42.56 76.51 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.208 0.528 . . . . 3.54 110.515 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.481 ' O ' HG13 ' B' ' 15' ' ' ILE . 4.0 m-80 -62.17 -39.21 91.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.7 111.565 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.634 HG13 ' O ' ' B' ' 8' ' ' LEU . 66.4 mt -67.9 -47.25 79.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.33 109.964 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -57.98 -44.17 86.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 1.95 110.21 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.407 ' HB ' ' OD1' ' A' ' 11' ' ' ASN . 52.1 m -59.29 -40.87 87.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.263 -0.426 . . . . 0.44 110.554 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.714 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.0 mt -65.64 -49.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.42 110.728 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 90' ' ' SER . 96.9 mt -54.26 -52.84 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.55 -0.75 . . . . 0.42 111.667 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -70.45 -32.9 70.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.385 -0.526 . . . . 1.76 112.187 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.746 ' HB ' HD21 ' A' ' 8' ' ' LEU . 8.9 m -75.94 -47.51 24.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.387 -0.525 . . . . 0.8 110.351 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 2.5 m-85 -53.46 -41.15 65.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.298 -0.63 . . . . 3.66 109.298 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 35.5 m170 -69.45 -21.69 63.7 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.417 -0.811 . . . . 2.83 112.94 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' B' ' 18' ' ' THR . 8.7 pt20 -69.05 -31.72 70.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.982 0.81 . . . . 1.45 108.898 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.544 ' CD2' HD23 ' B' ' 40' ' ' LEU . 93.6 m-85 -77.7 -30.7 51.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 1.4 109.903 173.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' B' ' 31' ' ' THR . 2.4 m -76.62 -29.84 56.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.541 0.686 . . . . 1.04 111.189 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.527 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -77.92 -3.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 0.69 111.497 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.21 -23.7 67.4 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 2.17 110.606 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -88.68 -6.91 57.15 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.156 -0.474 . . . . 2.04 112.178 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.6 -121.45 4.86 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 110.99 -0.844 . . . . 1.43 110.99 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -59.45 112.46 5.25 Favored Pre-proline 0 C--O 1.232 0.137 0 N-CA-C 106.374 -1.713 . . . . 3.7 106.374 166.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.527 ' HB3' ' CA ' ' B' ' 24' ' ' VAL . 65.0 Cg_endo -75.23 39.76 0.63 Allowed 'Trans proline' 0 CA--C 1.517 -0.334 0 N-CA-C 115.258 1.215 . . . . 2.64 115.258 -153.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.71 3.0 5.55 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 121.995 2.179 . . . . 2.56 113.337 -147.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.728 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 12.0 t -157.82 173.18 17.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.164 0.586 . . . . 1.4 111.175 -168.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.51 118.38 30.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.318 -0.993 . . . . 0.73 108.318 158.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.69 -176.77 6.44 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.763 -0.775 . . . . 2.37 109.068 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' B' ' 63' ' ' MET . 35.4 tt0 -51.83 -46.01 64.17 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.46 -0.336 . . . . 1.42 111.75 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.6 -40.09 47.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.68 -0.772 . . . . 0.44 112.297 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.64 -39.89 76.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.654 0.264 . . . . 2.01 110.755 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.97 -46.15 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.385 . . . . 1.47 110.952 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.41 ' HA ' HG21 ' B' ' 59' ' ' ILE . 59.3 mtpt -57.74 -46.7 84.11 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.305 -0.407 . . . . 1.39 110.707 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 41.7 tt0 -61.86 -45.72 92.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.053 -0.521 . . . . 1.75 110.89 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.0 tm? -51.92 -53.66 38.44 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.87 0.367 . . . . 1.43 110.201 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 96.8 t -64.29 -37.45 79.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.358 0.599 . . . . 0.4 110.612 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.546 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 39.7 ttm180 -68.15 -28.8 67.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 3.25 111.723 -174.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -98.61 -53.37 3.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.373 0.509 . . . . 2.33 112.373 -175.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' A' ' 8' ' ' LEU . 1.8 m-20 -96.17 -41.2 8.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.755 0.65 . . . . 1.87 112.755 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 73.0 mt -87.84 1.93 52.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.44 110.512 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.4 pt20 -52.11 -21.67 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.0 -1.0 . . . . 1.46 111.805 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.57 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 2.2 p30 -97.32 -49.64 4.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 2.14 111.343 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.599 ' O ' HD13 ' B' ' 109' ' ' LEU . 1.5 m-30 -69.9 -35.56 74.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.457 0.646 . . . . 1.92 110.675 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -108.97 22.75 15.5 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.722 -0.672 . . . . 0.61 109.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 11.0 ptmt -48.8 -42.78 37.01 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.878 0.696 . . . . 2.15 112.878 -174.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.598 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -62.52 -36.65 83.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.67 0.748 . . . . 1.25 110.094 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.3 tt0 -75.27 -32.74 61.13 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.701 -1.136 . . . . 2.13 109.975 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' B' ' 42' ' ' ARG . 6.2 t30 -65.77 -16.8 64.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.127 -0.942 . . . . 1.7 111.179 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -81.09 -13.22 58.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 3.34 110.254 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -126.12 145.51 50.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.722 -0.473 . . . . 1.92 109.722 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.5 -33.45 16.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.839 0.352 . . . . 2.46 110.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.0 -29.77 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.804 -0.634 . . . . 2.5 111.672 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 11.7 t -68.97 -41.44 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.66 109.631 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.41 HG21 ' HA ' ' B' ' 38' ' ' LYS . 57.4 mt -67.03 -37.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.245 -0.889 . . . . 1.05 110.014 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.17 -35.09 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.026 -0.534 . . . . 1.85 110.823 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -63.28 -49.31 74.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.114 -0.328 . . . . 1.87 110.114 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' B' ' 66' ' ' LEU . 53.8 mt -65.81 -34.38 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.536 0.684 . . . . 1.18 110.408 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -52.84 -50.83 62.94 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 113.839 -1.528 . . . . 1.05 110.389 176.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' B' ' 67' ' ' ASP . 34.0 tt0 -112.6 -29.03 7.6 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 115.404 -2.518 . . . . 2.36 110.323 -167.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.74 -39.41 80.84 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.405 -0.518 . . . . 1.93 111.283 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' B' ' 62' ' ' ILE . 10.9 mp -77.28 -15.63 59.35 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.887 0.375 . . . . 1.26 111.227 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' B' ' 64' ' ' GLU . 7.4 t70 -68.53 78.08 0.28 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.272 1.034 . . . . 1.4 109.946 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 61.0 p -68.95 -28.24 66.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.19 -1.368 . . . . 1.98 111.306 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -86.19 -0.8 56.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.672 -0.695 . . . . 2.25 109.668 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.515 ' HA ' ' OD2' ' B' ' 67' ' ' ASP . . . 56.92 41.42 27.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.679 -1.146 . . . . 1.14 113.499 167.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.16 10.98 14.0 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.91 -0.316 . . . . 1.95 110.66 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.7 OUTLIER 63.9 38.16 9.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.849 0.833 . . . . 1.64 108.909 -176.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.728 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 89.2 mt-30 -142.79 166.5 24.47 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.06 -1.427 . . . . 1.59 108.552 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 ' O ' ' B' ' 73' ' ' GLN . 50.4 mt -129.7 113.3 14.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.187 0.518 . . . . 0.7 110.498 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.6 t -76.11 170.33 16.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.147 -0.933 . . . . 1.41 109.105 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.752 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 3.9 m-85 -49.63 -44.54 47.47 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.207 0.317 . . . . 3.06 111.148 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.609 ' O ' HG22 ' B' ' 80' ' ' ILE . 43.9 mt-10 -67.98 -33.64 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 2.04 111.768 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 81' ' ' MET . 32.2 mt-10 -76.34 -47.33 23.88 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.252 0.549 . . . . 3.18 110.367 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.752 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 2.3 p90 -71.4 -26.79 62.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 118.955 -1.098 . . . . 3.12 110.551 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.2 tp -65.84 -40.12 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.17 -0.612 . . . . 2.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 24.0 ptp -63.98 -26.07 68.41 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.549 -0.46 . . . . 2.01 110.43 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.622 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.2 tm? -57.87 -43.37 85.97 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.202 -0.666 . . . . 1.38 109.202 171.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.46 -24.87 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.91 111.396 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -76.58 -38.2 55.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.875 0.369 . . . . 0.35 110.554 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' B' ' 81' ' ' MET . 22.9 mtp-105 -59.52 -42.67 92.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.062 0.934 . . . . 1.67 108.682 175.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 48' ' ' PHE . 21.5 tp -72.24 -26.59 62.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.405 -1.27 . . . . 1.68 110.106 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -36.26 83.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.549 -0.296 . . . . 0.48 110.535 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.59 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 91.1 t90 -66.48 -37.45 85.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.438 -0.578 . . . . 3.49 109.438 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.96 89.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 1.18 110.775 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.493 ' HB2' HD13 ' A' ' 16' ' ' ILE . 18.4 m -73.77 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.089 -0.505 . . . . 1.74 110.713 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.7 t-80 -67.81 -35.81 79.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.987 -0.745 . . . . 3.33 108.987 172.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 11.6 mm-40 -74.08 -30.28 62.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.785 -1.098 . . . . 3.29 110.396 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.617 ' O ' ' HD2' ' B' ' 93' ' ' LYS . 0.6 OUTLIER -80.7 -21.65 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.372 -0.603 . . . . 5.62 109.372 176.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.402 ' HB3' ' HE2' ' B' ' 94' ' ' MET . 50.8 ttp -64.07 -26.24 68.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 5.55 110.457 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.55 69.37 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.525 -0.546 . . . . 5.11 109.525 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 41.2 tt0 -62.37 119.54 9.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.68 . . . . 5.97 110.421 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.16 -11.76 56.23 Favored Glycine 0 C--O 1.223 -0.591 0 CA-C-N 114.29 -1.323 . . . . 7.19 112.422 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.505 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 28.0 t70 -68.08 -19.11 64.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 111.983 0.364 . . . . 9.86 111.983 -170.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -76.56 -27.28 55.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 8.93 110.721 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 170.25 88.38 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.617 -0.993 . . . . 6.77 110.617 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -72.86 135.61 23.78 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.603 2.202 . . . . 7.97 114.171 -167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.2 -36.45 1.97 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.309 -1.517 . . . . 10.54 109.309 164.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -152.57 133.54 14.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.084 -1.08 . . . . 12.94 108.084 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -97.27 128.16 43.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.153 0.501 . . . . 8.26 111.562 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -100.94 158.78 15.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.462 -0.94 . . . . 8.24 108.462 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.481 ' HB2' ' HA2' ' B' ' 110' ' ' GLY . 26.0 mtpp -74.46 144.52 81.09 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-O 120.986 0.422 . . . . 6.24 111.29 -177.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.488 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 99.5 Cg_exo -48.56 151.69 4.74 Favored 'Trans proline' 0 C--O 1.205 -1.167 0 C-N-CA 124.315 3.343 . . . . 2.91 116.03 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.87 -45.74 0.01 OUTLIER Glycine 0 C--N 1.304 -1.246 0 C-N-CA 128.698 3.047 . . . . 3.17 118.311 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.599 HD13 ' O ' ' B' ' 48' ' ' PHE . 1.0 OUTLIER -145.47 -49.89 0.24 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 120.414 2.107 . . . . 2.15 108.249 145.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' B' ' 106' ' ' LYS . . . -132.06 8.56 5.42 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 111.916 -2.402 . . . . 2.79 112.015 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -76.27 152.31 36.53 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 124.122 0.969 . . . . 3.68 113.146 -163.285 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.4 110.39 2.71 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.594 -1.002 . . . . 2.85 110.594 170.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 29.1 p -126.75 124.22 24.04 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-O 120.399 0.143 . . . . 3.89 111.025 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.495 2.13 . . . . 5.21 111.434 173.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.959 0.409 . . . . 9.06 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 ' O ' ' HE2' ' B' ' 50' ' ' LYS . 4.5 t -90.48 89.87 7.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.526 0.679 . . . . 6.86 111.274 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -140.16 55.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 5.23 110.366 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -137.46 -138.5 0.14 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.608 -0.886 . . . . 2.34 108.608 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.479 ' HE1' ' HB2' ' A' ' 13' ' ' GLU . 2.0 ttt -152.77 131.02 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.789 -0.569 . . . . 2.68 110.747 175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -87.38 174.86 8.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 1.22 110.073 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.66 -46.58 86.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.47 110.862 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CD1' ' HA ' ' B' ' 15' ' ' ILE . 3.9 mm? -64.73 -45.53 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 1.81 110.666 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 71.5 mt-10 -61.61 -46.58 89.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.316 -0.402 . . . . 2.29 111.141 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -59.4 -37.94 79.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.797 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.71 -45.25 83.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.336 . . . . 1.71 110.357 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -60.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.32 110.682 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 5' ' ' MET . 1.6 tm-20 -62.63 -36.89 84.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.698 -0.228 . . . . 1.95 110.546 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.8 m -64.61 -37.02 86.14 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.156 0.503 . . . . 0.44 110.545 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.612 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 44.0 mt -70.13 -44.55 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.42 109.883 175.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 85.2 mt -57.77 -40.07 73.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.518 -0.765 . . . . 0.42 110.627 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 12.6 m120 -67.29 -45.96 75.03 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.855 0.317 . . . . 1.76 111.855 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.3 m -63.73 -47.75 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.506 0.67 . . . . 0.8 109.848 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CD2' HD11 ' A' ' 32' ' ' LEU . 2.0 m-85 -64.07 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 3.66 109.415 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.0 t-80 -58.65 -50.73 72.79 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.394 0.678 . . . . 2.82 111.392 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 18' ' ' THR . 27.4 pt20 -62.35 -34.45 76.67 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.606 -0.438 . . . . 1.45 111.285 -176.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -80.21 -31.05 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.279 -0.569 . . . . 1.4 111.724 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.73 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 24.3 p -78.91 -33.13 45.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.379 0.609 . . . . 1.04 110.663 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' A' ' 29' ' ' PRO . 4.3 p -72.01 -4.4 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.485 -0.779 . . . . 0.69 111.029 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 9.1 mtpm? -64.86 -28.61 69.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.851 -0.613 . . . . 2.17 109.853 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -91.43 12.51 20.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.025 -0.534 . . . . 2.04 111.811 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.63 -129.05 9.72 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.772 -0.728 . . . . 1.43 111.683 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -59.36 112.04 4.62 Favored Pre-proline 0 CA--C 1.516 -0.358 0 N-CA-C 106.447 -1.686 . . . . 3.7 106.447 168.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 23' ' ' SER . 57.0 Cg_endo -75.42 37.96 0.53 Allowed 'Trans proline' 0 C--O 1.222 -0.277 0 N-CA-C 116.077 1.529 . . . . 2.64 116.077 -149.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.13 6.21 2.31 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 123.118 2.69 . . . . 2.56 114.54 -150.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -156.27 157.45 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.075 0.55 . . . . 1.4 111.697 -175.609 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 19' ' ' PHE . 87.9 mt -100.52 120.89 40.69 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 0.73 108.362 161.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 4.0 m-20 -81.77 169.86 16.41 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.86 -0.736 . . . . 2.37 109.964 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -52.09 -39.71 60.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.063 0.394 . . . . 1.42 112.063 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.7 -39.0 49.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.44 111.715 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 7.4 mp0 -65.0 -42.06 94.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.353 -0.423 . . . . 2.0 110.464 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.56 -47.23 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.949 -0.569 . . . . 1.47 110.905 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 97.4 mttt -55.15 -48.43 73.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.38 110.452 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' HG2' ' CE ' ' A' ' 43' ' ' LYS . 29.1 tt0 -64.33 -41.58 96.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 1.74 110.673 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.91 -53.62 56.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 1.43 110.015 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 92.0 t -58.19 -38.47 68.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.4 111.212 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 95.3 mtt180 -67.83 -29.65 68.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.924 0.713 . . . . 3.25 112.924 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.6 mtmp? -110.74 -36.09 5.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.522 0.564 . . . . 2.33 112.522 -174.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 9.0 m-20 -105.45 -31.52 8.97 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.967 -0.293 . . . . 1.88 111.541 -170.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 86.5 mt -101.36 5.53 42.26 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.758 0.423 . . . . 0.44 110.912 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 28.6 pt20 -51.04 -22.11 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.46 112.747 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.661 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 35.1 m-80 -97.55 -48.65 5.18 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.454 -0.573 . . . . 2.14 109.454 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -62.8 -36.42 83.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.734 0.778 . . . . 1.91 109.709 -176.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 HD12 HG13 ' A' ' 41' ' ' VAL . 81.2 mt -112.21 22.66 14.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.332 -0.849 . . . . 0.61 110.892 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.661 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -43.0 22.5 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.208 0.317 . . . . 2.16 111.538 -175.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.638 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 1.6 mppt? -61.05 -47.48 86.2 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 122.567 1.175 . . . . 1.25 109.562 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 112.656 -2.065 . . . . 2.13 110.994 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.501 ' OD1' ' HG2' ' A' ' 42' ' ' ARG . 46.1 t30 -69.33 -17.02 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.371 0.605 . . . . 1.7 110.932 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -81.87 -5.11 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 3.34 110.085 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' OD1' ' HD3' ' A' ' 57' ' ' LYS . 35.7 t30 -127.61 147.1 50.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 1.92 109.794 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.5 mt-10 -86.83 -44.49 11.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 2.46 111.658 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.62 -29.27 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.882 -170.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.7 m -69.47 -39.72 78.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.66 111.132 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.421 HD12 HG11 ' A' ' 41' ' ' VAL . 30.6 mm -64.25 -37.42 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.462 -0.57 . . . . 1.05 109.462 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt-10 -65.84 -35.18 79.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.519 -0.764 . . . . 1.86 110.509 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.87 -48.45 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.09 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 58' ' ' VAL . 47.4 mm -58.55 -36.86 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.739 0.78 . . . . 1.18 109.953 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.508 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 14.1 tpt -62.08 -50.35 72.3 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-N 113.688 -1.596 . . . . 1.05 111.387 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 30.6 tt0 -102.45 -28.0 12.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 114.238 -2.985 . . . . 2.37 108.806 -161.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.17 -38.86 71.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.352 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.0 -22.87 36.3 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.101 0.408 . . . . 1.26 112.101 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' OD2' ' HE3' ' A' ' 72' ' ' LYS . 17.3 t0 -66.5 78.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.621 0.724 . . . . 1.39 110.795 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.8 -21.38 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.156 -0.929 . . . . 1.98 110.157 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -86.64 -4.8 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 2.25 109.438 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.81 25.3 3.78 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.602 -1.181 . . . . 1.15 113.756 168.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -119.95 20.59 12.13 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.75 0.31 . . . . 1.95 111.203 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 64.04 39.68 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.531 -0.759 . . . . 1.64 109.399 -177.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.635 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 25.8 mt-30 -138.5 141.32 39.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.569 -1.196 . . . . 1.59 109.493 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.508 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 54.7 mt -115.08 114.25 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.713 -0.477 . . . . 0.7 109.713 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.412 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 35.5 t -76.14 171.15 14.97 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.73 -0.841 . . . . 1.42 108.73 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 9.1 p90 -50.46 -39.26 47.37 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.318 0.488 . . . . 3.07 112.318 -174.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' O ' HG22 ' A' ' 80' ' ' ILE . 53.0 mt-10 -75.05 -32.52 61.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.067 0.395 . . . . 2.03 112.067 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.7 mp0 -73.28 -45.98 52.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.08 -0.387 . . . . 3.18 110.805 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 1.8 p90 -72.97 -26.34 61.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.769 -0.772 . . . . 3.12 110.927 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.84 -37.81 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.52 -0.472 . . . . 2.0 109.871 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.5 ttt -57.32 -30.31 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.271 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.4 tm? -65.69 -40.04 91.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.779 -0.452 . . . . 1.38 109.779 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.31 -30.59 68.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.218 0.532 . . . . 0.91 109.647 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.35 -38.02 65.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.35 110.639 177.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -62.93 -32.91 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.402 0.62 . . . . 1.67 109.338 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 40.6 mt -70.86 -33.64 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 1.68 109.951 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.7 m -65.92 -41.05 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.358 0.599 . . . . 0.48 110.079 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.621 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.5 t-105 -65.44 -35.95 82.44 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.52 -0.764 . . . . 3.49 109.448 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.53 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 1.18 110.814 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.3 t -69.09 -36.62 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.047 0.451 . . . . 1.74 109.803 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -62.81 -36.16 82.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 3.33 110.063 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.1 mm-40 -82.86 -26.28 31.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.464 -0.789 . . . . 3.3 111.286 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB2' HD23 ' A' ' 109' ' ' LEU . 26.4 tptp -80.54 -17.0 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 5.63 109.373 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 57.5 ttp -63.23 -20.66 65.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.222 -0.899 . . . . 5.55 109.654 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.89 82.82 5.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 5.1 110.089 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.509 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 9.6 tp10 -59.2 144.03 47.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 106.185 -1.783 . . . . 5.97 106.185 165.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.83 -51.91 32.21 Favored Glycine 0 CA--C 1.507 -0.429 0 C-N-CA 119.426 -1.369 . . . . 7.17 112.375 -160.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -122.67 -30.65 3.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.768 0.784 . . . . 9.86 112.605 158.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 42.6 mt-10 -77.65 21.55 0.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.086 0.773 . . . . 8.93 113.086 -165.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 96' ' ' GLU . . . -79.04 116.57 4.35 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 6.76 112.81 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 99' ' ' GLU . 51.2 Cg_exo -58.0 162.21 11.75 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.428 2.752 . . . . 7.95 111.439 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.36 -23.58 73.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.683 -0.77 . . . . 10.53 112.185 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -140.78 121.08 13.93 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.145 -1.057 . . . . 12.94 108.145 162.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -157.71 159.78 37.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.188 -0.301 . . . . 8.25 110.188 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -100.45 132.61 45.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.254 -1.017 . . . . 8.24 108.254 166.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 37.0 tptt -108.59 128.01 26.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.694 0.283 . . . . 6.23 111.036 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' HD2' ' HD2' ' A' ' 106' ' ' LYS . 24.3 Cg_endo -73.13 160.78 44.74 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 123.635 2.89 . . . . 2.91 110.571 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 90.34 41.94 5.35 Favored Glycine 0 N--CA 1.424 -2.121 0 C-N-CA 117.953 -2.07 . . . . 3.18 114.465 163.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 93' ' ' LYS . 1.1 tm? -79.91 -40.34 28.44 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.902 -1.518 . . . . 2.15 106.902 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.72 -16.52 4.52 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 110.564 -1.014 . . . . 2.79 110.564 165.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.541 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 11.2 mt-10 -77.41 154.78 32.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.585 -0.807 . . . . 3.67 109.832 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.04 104.87 2.71 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 118.091 -2.004 . . . . 2.84 111.166 167.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 50.3 m -152.75 114.42 2.79 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 109.662 -0.496 . . . . 3.88 109.662 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.479 2.12 . . . . 5.2 112.269 179.443 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.967 0.413 . . . . 9.07 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.446 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 4.5 t -90.63 89.8 7.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.593 0.711 . . . . 6.86 111.31 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -140.25 55.18 1.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 5.24 110.469 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' B' ' 4' ' ' LYS . 0.6 OUTLIER -137.43 -138.47 0.14 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.308 -0.86 . . . . 2.34 108.692 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.469 ' HE1' ' HB2' ' B' ' 13' ' ' GLU . 2.0 ttt -152.81 130.65 11.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.671 -0.643 . . . . 2.68 110.858 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -86.95 174.73 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 1.22 110.117 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.43 -46.49 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 2.47 110.909 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.612 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 3.9 mm? -64.81 -45.61 85.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.591 . . . . 1.81 110.645 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' B' ' 5' ' ' MET . 71.8 mt-10 -61.46 -46.58 89.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.269 -0.423 . . . . 2.28 111.083 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -59.55 -37.83 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.802 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.79 -45.32 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 1.7 110.347 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 79.2 mt -60.52 -47.93 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.33 110.757 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' HE1' ' B' ' 5' ' ' MET . 1.6 tm-20 -62.49 -36.9 83.96 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.721 -0.218 . . . . 1.95 110.644 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -36.9 85.81 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.479 . . . . 0.44 110.584 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 44.1 mt -69.98 -44.59 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.42 109.938 174.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 85.6 mt -57.69 -40.37 75.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 115.468 -0.787 . . . . 0.42 110.593 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 12.4 m120 -66.94 -46.08 75.84 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.832 0.308 . . . . 1.76 111.832 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 31.5 m -63.59 -48.0 79.16 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.513 0.673 . . . . 0.8 109.9 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' B' ' 32' ' ' LEU . 2.0 m-85 -64.0 -33.88 76.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.482 -0.781 . . . . 3.66 109.502 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 16' ' ' ILE . 27.3 t-80 -58.85 -50.83 72.53 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.402 0.681 . . . . 2.83 111.305 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' B' ' 18' ' ' THR . 27.5 pt20 -62.2 -34.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.645 -0.422 . . . . 1.45 111.343 -176.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -80.19 -30.94 38.79 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.32 -0.552 . . . . 1.4 111.761 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.724 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.9 p -78.91 -33.49 45.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.365 0.603 . . . . 1.04 110.635 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 4.3 p -71.54 -4.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.525 -0.761 . . . . 0.69 111.169 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 9.1 mtpm? -64.59 -29.04 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.895 -0.593 . . . . 2.17 109.847 176.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 26' ' ' LEU . 2.9 mm? -90.94 12.39 19.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 2.04 111.779 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 -129.12 9.74 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.69 -0.767 . . . . 1.43 111.743 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -59.33 112.38 5.09 Favored Pre-proline 0 CA--C 1.517 -0.317 0 N-CA-C 106.42 -1.696 . . . . 3.7 106.42 168.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' B' ' 23' ' ' SER . 55.8 Cg_endo -75.65 38.24 0.56 Allowed 'Trans proline' 0 C--O 1.223 -0.267 0 N-CA-C 116.21 1.581 . . . . 2.64 116.21 -150.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.35 6.02 2.55 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 123.135 2.698 . . . . 2.56 114.504 -149.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.633 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -156.22 157.21 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.137 0.575 . . . . 1.4 111.777 -175.58 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' B' ' 19' ' ' PHE . 86.3 mt -100.1 120.92 40.6 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.5 -0.926 . . . . 0.73 108.5 161.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 3.8 m-20 -81.79 169.54 16.78 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.895 -0.722 . . . . 2.37 109.961 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.65 -40.17 59.48 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.985 0.365 . . . . 1.42 111.985 -171.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.29 -38.85 53.12 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.737 -0.744 . . . . 0.44 111.808 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 7.6 mp0 -65.39 -42.07 93.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.368 -0.416 . . . . 2.01 110.408 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 1.47 110.967 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 97.3 mttt -55.02 -48.76 72.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.299 -0.41 . . . . 1.39 110.428 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.513 ' HG2' ' CE ' ' B' ' 43' ' ' LYS . 28.7 tt0 -63.99 -41.62 97.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 1.75 110.765 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.93 -53.69 55.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.902 -0.407 . . . . 1.43 109.902 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.2 t -58.2 -38.38 67.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.4 111.172 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 95.5 mtt180 -67.9 -29.63 68.77 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.954 0.724 . . . . 3.25 112.954 -173.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.513 ' CE ' ' HG2' ' B' ' 39' ' ' GLU . 5.6 mtmp? -110.61 -36.09 5.83 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.349 0.499 . . . . 2.33 112.349 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 8.6 m-20 -105.48 -31.33 9.04 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.932 -0.307 . . . . 1.87 111.522 -170.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 86.6 mt -101.5 5.52 41.92 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.363 0.414 . . . . 0.44 110.794 173.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 28.5 pt20 -50.93 -22.18 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.371 -0.832 . . . . 1.46 112.767 -174.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.672 ' O ' ' HD2' ' B' ' 50' ' ' LYS . 35.0 m-80 -97.58 -48.75 5.13 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.394 -0.595 . . . . 2.14 109.394 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.444 ' CD2' HD12 ' B' ' 109' ' ' LEU . 0.3 OUTLIER -62.7 -36.32 82.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.788 0.804 . . . . 1.92 109.74 -176.617 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.492 HD12 HG13 ' B' ' 41' ' ' VAL . 81.0 mt -112.31 22.68 14.46 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.36 -0.837 . . . . 0.61 110.817 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.672 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -42.97 22.46 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.233 0.333 . . . . 2.15 111.51 -175.676 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.646 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 1.6 mppt? -61.2 -47.24 87.03 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.669 1.223 . . . . 1.25 109.62 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.6 -31.88 63.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 112.658 -2.065 . . . . 2.13 110.939 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' B' ' 42' ' ' ARG . 45.4 t30 -69.16 -17.06 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 1.7 110.864 -173.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -81.85 -5.0 57.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.041 -0.527 . . . . 3.34 110.156 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' B' ' 57' ' ' LYS . 35.9 t30 -127.85 147.27 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.641 -0.503 . . . . 1.92 109.641 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 38.5 mt-10 -87.11 -44.39 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 2.46 111.588 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -64.73 -29.25 70.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.8 -170.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.477 ' O ' HG12 ' B' ' 62' ' ' ILE . 1.6 m -69.52 -39.84 78.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.145 -0.479 . . . . 0.66 111.056 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.43 HD12 HG11 ' B' ' 41' ' ' VAL . 30.7 mm -64.15 -37.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.395 -0.595 . . . . 1.05 109.395 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 27.5 mt-10 -65.86 -35.28 80.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.548 -0.751 . . . . 1.85 110.597 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.74 -48.42 71.96 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.87 110.053 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 58' ' ' VAL . 47.3 mm -58.57 -36.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.657 0.741 . . . . 1.18 109.958 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.495 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 14.1 tpt -62.35 -49.98 73.42 Favored 'General case' 0 N--CA 1.42 -1.943 0 CA-C-N 113.641 -1.618 . . . . 1.05 111.379 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 30.3 tt0 -102.81 -27.88 12.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 114.342 -2.943 . . . . 2.36 108.816 -161.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.09 -39.32 71.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.331 -0.395 . . . . 1.93 110.342 169.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -81.74 -22.72 37.12 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.094 0.405 . . . . 1.26 112.094 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.515 ' OD2' ' HE3' ' B' ' 72' ' ' LYS . 16.9 t0 -66.76 78.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.713 0.768 . . . . 1.4 110.804 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.17 -21.65 64.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.161 -0.927 . . . . 1.98 110.09 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -86.61 -4.64 59.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 2.25 109.336 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.68 25.51 3.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.723 -1.126 . . . . 1.14 113.792 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.01 20.08 12.2 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.748 0.309 . . . . 1.95 111.131 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.515 ' HE3' ' OD2' ' B' ' 67' ' ' ASP . 0.0 OUTLIER 64.63 39.29 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.566 -0.743 . . . . 1.64 109.482 -177.519 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.633 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.0 mt-30 -138.37 141.38 39.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.632 -1.167 . . . . 1.59 109.359 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.495 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 54.8 mt -115.13 114.18 24.96 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.643 -0.503 . . . . 0.7 109.643 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -76.48 171.32 14.8 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.717 -0.845 . . . . 1.41 108.717 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.703 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 9.4 p90 -50.46 -39.37 47.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.338 0.495 . . . . 3.06 112.338 -174.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.525 ' O ' HG22 ' B' ' 80' ' ' ILE . 55.3 mt-10 -75.04 -32.63 61.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.033 0.382 . . . . 2.04 112.033 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.17 -45.74 54.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.82 -0.352 . . . . 3.18 110.871 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 1.7 p90 -73.11 -26.27 61.18 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 119.663 -0.815 . . . . 3.12 110.823 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.9 -37.83 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.469 -0.492 . . . . 2.0 109.802 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 21.7 ttt -57.31 -30.34 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 2.01 110.255 172.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.4 tm? -65.57 -40.05 92.33 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.771 -0.455 . . . . 1.38 109.771 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.35 -30.69 68.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.579 -0.526 . . . . 0.91 109.579 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.35 -37.9 65.93 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.64 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.8 mtp180 -63.08 -32.57 73.97 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.357 -0.608 . . . . 1.67 109.357 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 41.4 mt -71.09 -33.77 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.771 . . . . 1.68 109.908 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 55.2 m -65.82 -40.92 92.28 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.328 0.585 . . . . 0.48 110.145 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.632 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.5 t-105 -65.41 -35.91 82.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.517 -0.765 . . . . 3.49 109.374 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.51 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.679 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 33.4 t -69.15 -36.49 77.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 1.74 109.893 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.8 -35.87 81.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 3.33 110.109 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 12.0 mm-40 -83.14 -26.33 31.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.444 -0.798 . . . . 3.29 111.308 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.551 ' HB2' HD23 ' B' ' 109' ' ' LEU . 26.4 tptp -80.38 -17.08 52.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.38 0.609 . . . . 5.62 109.426 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 57.8 ttp -63.43 -20.04 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.019 -0.991 . . . . 5.55 109.738 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -79.16 82.63 5.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 5.11 110.104 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.506 ' HB3' ' CA ' ' B' ' 100' ' ' GLY . 9.2 tp10 -59.23 143.8 48.02 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 106.228 -1.768 . . . . 5.97 106.228 165.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.9 -51.44 34.36 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 119.446 -1.359 . . . . 7.19 112.452 -160.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -122.83 -30.66 3.79 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 117.751 0.776 . . . . 9.86 112.739 158.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' B' ' 101' ' ' PRO . 43.2 mt-10 -77.89 21.79 0.3 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.171 0.804 . . . . 8.93 113.171 -165.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.506 ' CA ' ' HB3' ' B' ' 96' ' ' GLU . . . -79.44 116.25 4.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.663 -0.78 . . . . 6.77 112.704 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' B' ' 99' ' ' GLU . 53.0 Cg_exo -57.92 162.28 11.43 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.423 2.748 . . . . 7.97 111.3 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.52 -23.32 73.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.618 -0.801 . . . . 10.54 112.124 -169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.8 121.1 13.93 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.065 -1.087 . . . . 12.94 108.065 162.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -157.77 159.69 37.06 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 8.26 110.15 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -100.56 132.16 46.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.368 -0.975 . . . . 8.24 108.368 166.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 93' ' ' LYS . 36.6 tptt -108.24 127.94 26.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 6.24 111.198 -172.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.433 ' HD2' ' HD2' ' B' ' 106' ' ' LYS . 26.4 Cg_endo -72.92 160.82 45.14 Favored 'Trans proline' 0 CA--C 1.505 -0.968 0 C-N-CA 123.681 2.921 . . . . 2.91 110.633 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 90.44 41.68 5.39 Favored Glycine 0 N--CA 1.425 -2.087 0 C-N-CA 117.965 -2.064 . . . . 3.17 114.55 163.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' B' ' 93' ' ' LYS . 1.0 OUTLIER -79.96 -40.44 28.06 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.789 -1.56 . . . . 2.15 106.789 168.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.74 -16.48 4.53 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.622 -0.991 . . . . 2.79 110.622 165.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.537 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 11.0 mt-10 -77.3 155.2 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.585 -0.808 . . . . 3.68 109.917 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.52 104.66 2.63 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 118.206 -1.949 . . . . 2.85 111.138 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 55.4 m -152.92 114.03 2.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.751 -0.463 . . . . 3.89 109.751 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 C--O 1.247 0.973 0 C-N-CA 122.563 2.176 . . . . 5.21 112.281 179.821 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.386 0.612 . . . . 9.06 110.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -129.18 111.9 13.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.296 -0.411 . . . . 6.86 110.342 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -70.3 107.16 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.673 -0.491 . . . . 5.23 109.673 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -150.67 6.53 0.54 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.111 -0.495 . . . . 2.34 111.136 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.514 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 32.3 mtt -38.84 139.91 0.41 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 124.094 0.872 . . . . 2.68 112.987 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -75.54 176.21 7.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.367 -1.288 . . . . 1.22 109.411 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.76 -45.38 82.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 2.47 110.216 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 tp -62.56 -46.04 90.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.54 -0.755 . . . . 1.81 110.992 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 84.7 mt-10 -64.81 -49.7 69.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.191 -0.459 . . . . 2.29 111.975 -174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 10' ' ' ARG . 56.2 mtt180 -60.99 -34.44 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.986 0.422 . . . . 3.54 110.365 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.96 -41.29 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.739 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 8' ' ' LEU . 64.6 mt -62.48 -47.18 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.32 109.734 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -58.43 -40.46 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.595 -0.729 . . . . 1.95 110.177 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -68.6 -39.54 80.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.433 -0.349 . . . . 0.44 111.222 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' B' ' 15' ' ' ILE . 43.4 mt -62.49 -44.04 98.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.286 0.565 . . . . 0.42 109.938 174.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.71 -38.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.42 110.044 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.15 -41.11 86.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.606 -0.724 . . . . 1.76 110.451 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 22' ' ' TYR . 43.4 m -62.3 -50.26 72.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.118 0.485 . . . . 0.8 110.148 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.62 -47.32 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 3.66 109.282 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -57.15 -46.35 82.81 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.837 -1.074 . . . . 2.82 112.368 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -66.49 -35.63 80.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.68 -0.408 . . . . 1.45 111.229 -175.228 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 90.0 m-85 -78.52 -32.82 48.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.446 -0.502 . . . . 1.4 110.67 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.678 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 25.5 p -78.89 -35.66 43.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.379 0.609 . . . . 1.04 111.013 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 4.8 p -71.49 -5.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.51 -0.768 . . . . 0.69 111.072 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 49.8 mttp -62.5 -23.01 66.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.511 -0.768 . . . . 2.17 109.753 172.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.68 -5.6 41.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.969 -0.56 . . . . 2.04 112.222 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.89 -123.76 6.01 Favored Glycine 0 N--CA 1.463 0.439 0 C-N-CA 120.953 -0.641 . . . . 1.43 111.609 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -63.35 105.15 0.6 Allowed Pre-proline 0 CA--C 1.516 -0.341 0 N-CA-C 106.438 -1.69 . . . . 3.7 106.438 167.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.678 ' O ' ' HB2' ' A' ' 23' ' ' SER . 36.8 Cg_endo -76.83 48.24 2.4 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 N-CA-C 115.681 1.377 . . . . 2.64 115.681 -149.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.66 -7.02 45.33 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 123.487 2.858 . . . . 2.56 112.212 -149.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.605 ' CB ' ' HB3' ' A' ' 73' ' ' GLN . 59.8 p -154.13 161.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.636 0.774 . . . . 1.4 110.419 -168.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 60.5 mt -99.59 121.48 41.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.947 -0.76 . . . . 0.73 108.947 163.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.554 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . 12.1 t-20 -79.69 163.99 24.09 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.058 -1.057 . . . . 2.37 109.168 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 24.3 tt0 -51.53 -37.83 51.25 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.1 0.407 . . . . 1.42 112.1 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.23 43.78 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.68 -0.772 . . . . 0.44 111.466 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 33' ' ' ASN . 3.9 mp0 -63.02 -44.41 96.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.503 . . . . 2.0 110.408 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.49 -44.11 83.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.034 -0.53 . . . . 1.47 111.496 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -54.21 -48.25 71.25 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.359 -0.608 . . . . 1.38 109.359 178.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE2' ' HD2' ' A' ' 42' ' ' ARG . 1.5 tp10 -62.76 -42.9 99.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.902 -1.045 . . . . 1.74 110.71 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 32' ' ' LEU . 10.2 tt -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 1.43 109.773 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 90.6 t -69.99 -37.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.049 -0.523 . . . . 0.4 111.111 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 91.5 mtt180 -61.92 -31.3 71.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.859 0.318 . . . . 3.25 111.859 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -118.51 -30.89 5.06 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.205 0.817 . . . . 2.33 113.205 -170.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 5.0 m-20 -105.98 -33.55 7.88 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.125 -0.63 . . . . 1.88 112.352 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 95.2 mt -101.6 5.02 41.45 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.996 0.426 . . . . 0.44 111.303 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 29.9 pt20 -51.6 -23.36 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.347 -0.842 . . . . 1.46 113.072 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' OE2' ' B' ' 9' ' ' GLU . 51.0 t30 -106.77 -39.02 5.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.277 0.561 . . . . 2.14 110.39 -173.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' B' ' 9' ' ' GLU . 0.1 OUTLIER -73.79 -35.71 64.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.62 0.724 . . . . 1.91 109.476 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.57 22.17 15.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.045 -0.98 . . . . 0.61 110.479 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' NZ ' ' HA2' ' A' ' 110' ' ' GLY . 10.7 ptpp? -48.49 -39.69 23.96 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.246 0.341 . . . . 2.16 111.675 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 1.3 mtmp? -58.53 -42.9 88.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 1.25 110.78 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.419 -0.81 . . . . 2.13 110.333 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -63.85 -16.65 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.7 111.307 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.3 mtpp -81.92 -6.38 59.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.536 . . . . 3.34 110.729 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.39 143.28 37.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.093 -0.706 . . . . 1.92 109.093 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.47 -29.33 15.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.06 0.457 . . . . 2.46 110.621 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.11 -26.61 65.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.802 -0.635 . . . . 2.5 110.529 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.73 -36.94 60.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.461 -0.57 . . . . 0.66 109.461 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 63' ' ' MET . 29.8 mm -64.75 -37.43 80.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.804 -0.634 . . . . 1.05 109.429 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.77 -35.11 80.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.86 111.054 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 22.2 m-70 -65.62 -49.29 69.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.973 -0.291 . . . . 1.87 111.12 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.65 -39.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.818 0.818 . . . . 1.18 109.087 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.81 -48.94 79.52 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 113.328 -1.76 . . . . 1.05 111.858 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 39.8 mt-10 -111.32 -29.58 7.76 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 115.371 -2.532 . . . . 2.37 110.973 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 62.7 m-20 -57.44 -33.16 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.987 -0.685 . . . . 1.93 109.711 170.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.665 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 55.5 mt -95.16 -13.26 25.18 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 112.771 0.656 . . . . 1.26 112.771 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 t0 -59.5 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.544 1.164 . . . . 1.39 110.038 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.7 -24.35 64.48 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.164 -1.835 . . . . 1.98 111.451 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -88.07 -5.08 58.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.023 -0.732 . . . . 2.25 109.023 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.44 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.761 -1.109 . . . . 1.15 112.688 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 33.8 m-20 -116.48 16.89 15.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.53 -0.304 . . . . 1.95 111.326 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.558 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.46 40.25 4.75 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.291 -1.003 . . . . 1.64 108.291 -173.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.605 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 99.0 mt-30 -142.75 138.31 30.39 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.385 -1.28 . . . . 1.59 110.129 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.684 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 14.3 mt -101.41 116.22 32.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.488 -0.323 . . . . 0.7 110.651 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 p -79.0 160.76 27.04 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.649 -0.5 . . . . 1.42 109.649 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -50.74 -36.22 35.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.701 0.286 . . . . 3.07 111.267 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.13 -30.81 63.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.889 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.684 ' OE1' ' HB3' ' A' ' 74' ' ' LEU . 8.5 tm-20 -74.39 -50.76 17.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.176 -0.609 . . . . 3.18 109.844 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HG2' ' A' ' 83' ' ' MET . 88.2 t80 -57.63 -38.45 75.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.325 0.583 . . . . 3.12 110.337 -174.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.83 HG21 ' HB2' ' B' ' 84' ' ' ALA . 1.7 tp -68.19 -45.13 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 115.534 -0.757 . . . . 2.0 109.989 178.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -36.22 73.82 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.515 0.326 . . . . 2.01 110.712 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.84 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.971 -0.752 . . . . 1.38 108.971 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 30.7 mmt -59.82 -30.93 69.26 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.701 -0.681 . . . . 0.91 110.3 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.91 -44.53 54.84 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.87 0.367 . . . . 0.35 110.714 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.05 -37.48 77.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.934 -0.765 . . . . 1.67 108.934 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.3 -31.78 64.24 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.747 -1.115 . . . . 1.68 110.475 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.6 m -63.97 -48.16 77.55 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.526 -0.47 . . . . 0.48 111.043 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -83.33 -37.52 23.28 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.993 -0.683 . . . . 3.49 110.312 -174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 94' ' ' MET . . . -67.45 -51.13 55.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.499 . . . . 1.18 111.073 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.747 ' HB2' HD12 ' A' ' 109' ' ' LEU . 92.8 p -80.01 -44.35 20.33 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 120.005 -0.678 . . . . 1.74 111.539 -174.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.02 -43.01 22.7 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.038 -0.528 . . . . 3.33 110.131 -166.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 19.9 tt0 -98.71 -22.9 15.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.848 -0.741 . . . . 3.3 112.477 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -117.63 -23.8 7.51 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 117.018 2.229 . . . . 5.63 117.018 -172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.672 ' HG2' ' O ' ' A' ' 89' ' ' ALA . 22.2 mmt -94.26 -39.99 10.22 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 116.962 -1.895 . . . . 5.55 113.537 -165.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -109.29 67.45 0.65 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.777 -0.577 . . . . 5.1 109.89 168.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -114.85 160.11 19.86 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 122.533 1.159 . . . . 5.97 113.508 -173.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.87 -4.04 3.93 Favored Glycine 0 C--N 1.318 -0.444 0 CA-C-N 112.728 -2.033 . . . . 7.17 111.446 166.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 96' ' ' GLU . 23.8 t70 -64.0 -0.15 1.05 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.874 1.27 . . . . 9.86 112.505 -168.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.97 -20.74 65.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.245 0.545 . . . . 8.93 109.686 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.89 74.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.435 -0.802 . . . . 6.76 111.17 164.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 66.9 Cg_endo -82.38 157.82 17.04 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.899 3.066 . . . . 7.95 113.706 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.05 -58.11 1.62 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 107.504 -2.238 . . . . 10.53 107.504 156.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -148.7 128.5 13.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.8 -1.556 . . . . 12.94 106.8 160.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -147.81 156.04 42.3 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.823 -0.751 . . . . 8.25 112.366 -174.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -147.12 135.51 21.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 8.24 108.734 170.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -136.95 132.66 18.36 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.498 . . . . 6.23 112.281 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.45 ' CG ' ' HB ' ' A' ' 113' ' ' THR . 77.0 Cg_endo -70.39 163.25 39.45 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 124.516 3.477 . . . . 2.91 112.008 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.603 ' HA2' ' HB2' ' A' ' 111' ' ' GLU . . . 92.94 47.86 3.03 Favored Glycine 0 N--CA 1.418 -2.505 0 C-N-CA 117.576 -2.249 . . . . 3.18 115.543 159.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.747 HD12 ' HB2' ' A' ' 90' ' ' SER . 0.9 OUTLIER -77.52 -22.27 51.43 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.887 -1.153 . . . . 2.15 107.887 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.538 ' HA2' ' NZ ' ' A' ' 50' ' ' LYS . . . -119.85 -16.9 4.79 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 109.954 -1.259 . . . . 2.79 109.954 168.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.603 ' HB2' ' HA2' ' A' ' 108' ' ' GLY . 7.7 mm-40 -102.21 157.12 17.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.177 -0.511 . . . . 3.67 110.958 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.8 106.88 2.89 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 118.395 -1.86 . . . . 2.84 110.895 169.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 107' ' ' PRO . 28.3 m -146.67 124.36 6.03 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 110.067 -0.346 . . . . 3.88 110.067 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.245 0.839 0 C-N-CA 122.975 2.45 . . . . 5.2 111.928 177.206 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.357 0.599 . . . . 9.07 110.054 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 30.5 m -129.48 111.81 13.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 6.86 110.457 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -70.13 106.79 3.4 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.819 -0.437 . . . . 5.24 109.819 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -150.53 6.78 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 2.34 111.037 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.513 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 31.7 mtt -39.18 139.84 0.47 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.048 0.842 . . . . 2.68 113.01 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -75.46 176.13 7.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.51 -1.223 . . . . 1.22 109.46 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.79 -45.25 82.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.418 . . . . 2.47 110.13 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.2 tp -62.57 -46.18 89.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 1.81 110.935 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 84.2 mt-10 -64.65 -49.72 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 2.28 111.987 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -61.14 -34.39 74.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 3.54 110.218 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -68.91 -41.3 78.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 1.7 110.66 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 8' ' ' LEU . 65.3 mt -62.54 -47.2 94.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.729 -0.471 . . . . 0.33 109.729 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -58.45 -40.54 82.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.598 -0.728 . . . . 1.95 110.054 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.5 m -68.54 -39.36 81.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.461 -0.336 . . . . 0.44 111.332 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' A' ' 15' ' ' ILE . 43.7 mt -62.76 -43.73 98.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 121.261 0.553 . . . . 0.42 109.968 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.84 -38.03 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.12 -0.945 . . . . 0.42 109.999 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -67.31 -41.07 85.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.525 -0.761 . . . . 1.76 110.388 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' B' ' 22' ' ' TYR . 40.7 m -62.15 -50.33 72.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.191 0.519 . . . . 0.8 110.179 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.81 -47.18 71.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.775 -0.648 . . . . 3.66 109.284 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -57.22 -46.39 82.98 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 114.852 -1.067 . . . . 2.83 112.38 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.559 ' HG3' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -66.54 -35.53 80.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.094 0.406 . . . . 1.45 111.21 -175.286 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.559 ' N ' ' HG3' ' B' ' 21' ' ' GLN . 90.3 m-85 -78.6 -32.74 47.69 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.525 -0.47 . . . . 1.4 110.747 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.7 p -78.95 -35.72 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.352 0.596 . . . . 1.04 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.562 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 4.9 p -71.63 -5.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.73 . . . . 0.69 110.924 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 50.5 mttp -62.93 -22.85 67.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.742 . . . . 2.17 109.719 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.86 -5.14 42.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.884 -0.598 . . . . 2.04 112.227 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.95 -124.48 6.37 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 120.97 -0.633 . . . . 1.43 111.552 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -62.34 105.24 0.59 Allowed Pre-proline 0 N--CA 1.465 0.3 0 N-CA-C 106.462 -1.681 . . . . 3.7 106.462 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.671 ' O ' ' HB2' ' B' ' 23' ' ' SER . 35.5 Cg_endo -77.02 48.32 2.47 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 N-CA-C 115.699 1.384 . . . . 2.64 115.699 -149.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.82 -6.94 45.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 123.473 2.851 . . . . 2.56 112.2 -149.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.604 ' CB ' ' HB3' ' B' ' 73' ' ' GLN . 67.2 p -154.04 162.12 41.43 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.639 0.776 . . . . 1.4 110.54 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 40' ' ' LEU . 59.7 mt -99.75 121.42 41.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.959 -0.756 . . . . 0.73 108.959 163.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.567 ' HB3' ' OE2' ' B' ' 36' ' ' GLU . 11.8 t-20 -79.73 163.91 24.12 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.022 -1.071 . . . . 2.37 109.126 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' HG3' ' B' ' 63' ' ' MET . 24.0 tt0 -51.41 -37.69 49.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.987 0.366 . . . . 1.42 111.987 -172.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.09 -42.65 43.12 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.76 -0.733 . . . . 0.44 111.539 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.567 ' OE2' ' HB3' ' B' ' 33' ' ' ASN . 3.4 mp0 -62.82 -44.5 95.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.15 -0.525 . . . . 2.01 110.292 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -66.48 -44.16 83.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.47 111.497 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -54.11 -48.2 71.01 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.361 -0.607 . . . . 1.39 109.361 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' B' ' 42' ' ' ARG . 1.4 tp10 -62.92 -42.67 99.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.872 -1.058 . . . . 1.75 110.815 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 32' ' ' LEU . 10.2 tt -55.74 -46.9 77.71 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.072 -0.513 . . . . 1.43 109.706 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.6 t -70.01 -37.38 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.063 -0.517 . . . . 0.4 111.139 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 38' ' ' LYS . 91.6 mtt180 -62.01 -31.22 71.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.587 -0.278 . . . . 3.25 111.737 -174.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -118.48 -31.08 5.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.199 0.815 . . . . 2.33 113.199 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 5.5 m-20 -105.74 -33.65 7.95 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.161 -0.615 . . . . 1.87 112.345 -175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 95.3 mt -101.52 5.0 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.103 0.478 . . . . 0.44 111.399 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 29.9 pt20 -51.56 -23.19 3.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.261 -0.881 . . . . 1.46 113.087 -174.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.499 ' HB3' ' OE2' ' A' ' 9' ' ' GLU . 51.2 t30 -106.97 -39.11 5.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.193 0.521 . . . . 2.14 110.414 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.443 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -73.69 -35.71 65.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.565 0.698 . . . . 1.92 109.565 179.234 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.8 mt -110.61 22.26 15.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.041 -0.981 . . . . 0.61 110.608 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.538 ' NZ ' ' HA2' ' B' ' 110' ' ' GLY . 10.7 ptpp? -48.54 -39.8 24.72 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.128 0.268 . . . . 2.15 111.666 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.461 ' HZ2' ' HB2' ' B' ' 51' ' ' LYS . 1.3 mtmp? -58.22 -43.23 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.298 0.57 . . . . 1.25 110.779 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.54 -33.17 64.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.495 -0.775 . . . . 2.13 110.334 175.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.403 ' HB3' ' HA ' ' B' ' 50' ' ' LYS . 6.5 t30 -63.67 -16.69 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.296 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.3 mtpp -81.94 -6.25 58.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.025 -0.534 . . . . 3.34 110.822 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -139.52 143.31 37.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.075 -0.713 . . . . 1.92 109.075 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.49 -29.16 15.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 2.46 110.553 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.2 -26.74 65.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 2.5 110.579 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.64 -37.1 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.408 -0.589 . . . . 0.66 109.408 174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' B' ' 63' ' ' MET . 29.3 mm -64.49 -37.68 80.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.05 109.533 175.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.62 -34.88 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.847 -0.615 . . . . 1.85 111.065 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 22.4 m-70 -65.83 -49.39 68.39 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.984 -0.286 . . . . 1.87 111.159 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 78.3 mt -58.56 -39.19 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.794 0.807 . . . . 1.18 109.127 174.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.563 ' HB2' ' O ' ' B' ' 59' ' ' ILE . 0.0 OUTLIER -60.66 -48.87 79.87 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 113.324 -1.762 . . . . 1.05 111.828 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 40.2 mt-10 -111.56 -29.65 7.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 115.41 -2.516 . . . . 2.36 111.02 -167.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 58.9 m-20 -57.11 -33.59 67.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.978 -0.689 . . . . 1.93 109.521 170.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.662 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 55.4 mt -94.95 -13.3 25.47 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.875 0.694 . . . . 1.26 112.875 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.561 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.0 t0 -59.41 87.55 0.01 OUTLIER 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.507 1.146 . . . . 1.4 110.009 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.94 -24.17 64.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 113.158 -1.837 . . . . 1.98 111.324 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -88.04 -5.25 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.143 -0.688 . . . . 2.25 109.143 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.26 26.58 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.602 -1.181 . . . . 1.14 112.653 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 35.6 m-20 -116.55 17.16 15.45 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.496 -0.32 . . . . 1.95 111.347 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.561 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.18 40.32 5.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.288 -1.005 . . . . 1.64 108.288 -174.076 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.604 ' HB3' ' CB ' ' B' ' 31' ' ' THR . 99.0 mt-30 -142.85 138.39 30.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.291 -1.322 . . . . 1.59 110.089 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.701 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 14.3 mt -101.57 116.05 31.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.332 -0.394 . . . . 0.7 110.594 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -78.93 160.82 27.08 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 109.679 -0.489 . . . . 1.41 109.679 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -50.67 -36.34 35.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.694 0.283 . . . . 3.06 111.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.34 -30.35 63.27 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.535 -0.302 . . . . 2.04 110.944 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.701 ' OE1' ' HB3' ' B' ' 74' ' ' LEU . 8.5 tm-20 -74.59 -50.82 16.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.171 -0.612 . . . . 3.18 109.838 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 83' ' ' MET . 88.3 t80 -57.64 -38.66 75.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.308 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.825 HG21 ' HB2' ' A' ' 84' ' ' ALA . 1.7 tp -68.1 -45.15 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.613 -0.721 . . . . 2.0 109.949 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -36.25 73.58 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.921 0.391 . . . . 2.01 110.767 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.87 -38.18 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.763 . . . . 1.38 108.941 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 30.7 mmt -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.736 -0.666 . . . . 0.91 110.288 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.83 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.92 -44.64 54.45 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.868 0.366 . . . . 0.35 110.722 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' B' ' 85' ' ' ARG . 46.8 mtt180 -59.03 -37.39 76.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.92 -0.77 . . . . 1.67 108.92 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.33 -31.89 64.26 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.728 -1.124 . . . . 1.68 110.526 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.3 m -64.03 -48.05 77.83 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.962 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -83.35 -37.53 23.23 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 3.49 110.363 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.659 ' O ' ' HG2' ' B' ' 94' ' ' MET . . . -67.31 -51.09 56.79 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 120.439 -0.505 . . . . 1.18 111.15 -174.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.741 ' HB2' HD12 ' B' ' 109' ' ' LEU . 93.7 p -80.15 -44.23 20.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.008 -0.677 . . . . 1.74 111.644 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.03 -42.99 22.69 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.978 -0.555 . . . . 3.33 110.229 -166.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.671 ' O ' ' HG3' ' B' ' 96' ' ' GLU . 19.8 tt0 -98.77 -22.95 15.6 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 119.858 -0.737 . . . . 3.29 112.434 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -117.58 -24.16 7.39 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.933 2.197 . . . . 5.62 116.933 -172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.659 ' HG2' ' O ' ' B' ' 89' ' ' ALA . 22.2 mmt -93.98 -39.79 10.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 116.971 -1.892 . . . . 5.55 113.54 -165.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -109.41 67.27 0.65 Allowed 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.807 -0.558 . . . . 5.11 109.821 168.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.671 ' HG3' ' O ' ' B' ' 92' ' ' GLU . 0.4 OUTLIER -115.01 159.61 20.57 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 122.317 1.056 . . . . 5.97 113.484 -173.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.5 -4.2 3.71 Favored Glycine 0 C--N 1.32 -0.331 0 CA-C-N 112.789 -2.005 . . . . 7.19 111.295 166.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' B' ' 96' ' ' GLU . 22.9 t70 -63.53 -0.23 0.89 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.942 1.297 . . . . 9.86 112.519 -168.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.86 -21.0 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.362 -0.607 . . . . 8.93 109.362 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.87 74.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.045 -0.822 . . . . 6.77 111.045 164.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 98' ' ' ASP . 67.4 Cg_endo -82.47 157.81 16.79 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.817 3.012 . . . . 7.97 113.653 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.9 -58.09 1.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 107.546 -2.221 . . . . 10.54 107.546 156.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -148.55 129.1 14.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.682 -1.599 . . . . 12.94 106.682 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -148.29 155.95 41.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.854 -0.738 . . . . 8.26 112.224 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -147.17 135.79 21.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.256 -0.884 . . . . 8.24 108.693 170.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -136.91 132.88 18.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.223 0.535 . . . . 6.24 112.163 -175.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.456 ' CG ' ' HB ' ' B' ' 113' ' ' THR . 76.5 Cg_endo -70.41 163.27 39.4 Favored 'Trans proline' 0 CA--C 1.502 -1.089 0 C-N-CA 124.449 3.433 . . . . 2.91 112.098 173.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.597 ' HA2' ' HB2' ' B' ' 111' ' ' GLU . . . 92.74 47.83 3.09 Favored Glycine 0 N--CA 1.421 -2.357 0 C-N-CA 117.411 -2.328 . . . . 3.17 115.661 159.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' B' ' 90' ' ' SER . 0.9 OUTLIER -77.37 -22.3 51.92 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.001 -1.111 . . . . 2.15 108.001 169.295 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.538 ' HA2' ' NZ ' ' B' ' 50' ' ' LYS . . . -119.82 -16.78 4.84 Favored Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 109.934 -1.267 . . . . 2.79 109.934 168.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.597 ' HB2' ' HA2' ' B' ' 108' ' ' GLY . 7.6 mm-40 -102.36 156.94 17.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.2 -0.5 . . . . 3.68 110.947 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.62 106.98 2.92 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 118.423 -1.846 . . . . 2.85 110.904 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.456 ' HB ' ' CG ' ' B' ' 107' ' ' PRO . 28.5 m -146.71 124.14 5.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.077 -0.342 . . . . 3.89 110.077 175.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 C--O 1.246 0.892 0 C-N-CA 122.883 2.389 . . . . 5.21 112.055 177.376 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.71 0.29 . . . . 9.06 110.581 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -94.04 146.41 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.7 -0.481 . . . . 6.86 109.7 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -153.34 -179.14 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.381 -0.229 . . . . 5.23 110.381 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -53.53 -47.5 69.89 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.182 0.301 . . . . 2.34 111.283 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.1 mtt -36.89 133.57 0.58 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.008 0.818 . . . . 2.68 112.786 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.511 ' HB3' ' OD2' ' B' ' 44' ' ' ASP . 18.9 t -87.01 179.51 6.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.266 -0.879 . . . . 1.22 110.57 -177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.33 -48.04 80.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.525 0.565 . . . . 2.47 112.525 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 12' ' ' ILE . 13.4 tp -67.38 -44.0 80.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.908 -0.775 . . . . 1.81 108.908 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.673 ' CD ' ' HB2' ' B' ' 48' ' ' PHE . 3.9 tp10 -55.96 -50.73 69.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.624 -1.171 . . . . 2.29 111.668 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' SER . 88.9 mtt180 -60.29 -37.72 81.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.824 -0.625 . . . . 3.54 109.983 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.542 ' O ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -69.1 -37.46 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.827 . . . . 1.71 111.1 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -62.12 -47.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 110.061 -0.348 . . . . 0.32 110.061 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -41.94 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 1.95 111.112 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.1 m -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.366 0.603 . . . . 0.44 110.164 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' B' ' 15' ' ' ILE . 4.1 mt -64.57 -49.3 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.42 110.762 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' OG ' ' B' ' 90' ' ' SER . 93.3 mt -62.35 -39.64 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.42 110.697 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.703 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.2 m-80 -59.72 -40.62 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.392 -0.367 . . . . 1.76 110.589 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.708 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 73.1 m -63.43 -49.64 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.341 -0.391 . . . . 0.8 110.588 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' ' HE1' ' A' ' 79' ' ' PHE . 10.5 m-30 -58.99 -52.54 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.877 0.37 . . . . 3.66 110.686 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 1.2 p-80 -71.07 -20.92 62.31 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 112.768 0.655 . . . . 2.82 112.768 -174.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 18' ' ' THR . 2.6 pt20 -73.54 -32.31 64.13 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.678 0.672 . . . . 1.45 110.225 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 18' ' ' THR . 79.6 m-85 -78.82 -33.73 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 1.4 110.594 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 57.5 p -79.62 -30.09 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.023 0.439 . . . . 1.04 111.032 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 6.0 p -66.4 -7.0 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.054 -0.521 . . . . 0.69 111.265 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 69.1 mttm -61.52 -29.02 69.73 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.396 -0.366 . . . . 2.17 110.067 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.71 13.11 15.05 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.851 0.686 . . . . 2.04 112.851 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.45 -121.26 6.91 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.506 -0.854 . . . . 1.43 111.368 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -60.5 122.13 65.47 Favored Pre-proline 0 CA--C 1.519 -0.226 0 N-CA-C 106.078 -1.823 . . . . 3.7 106.078 165.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HB2' ' OG ' ' A' ' 23' ' ' SER . 29.8 Cg_endo -76.65 62.02 7.06 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 C-N-CA 120.62 0.88 . . . . 2.64 113.235 -153.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -32.33 69.93 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 120.853 1.661 . . . . 2.56 113.141 -149.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.586 HG21 ' OE1' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -155.44 167.43 30.4 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 125.086 1.354 . . . . 1.4 108.495 -172.058 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.36 117.22 31.11 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.808 -1.182 . . . . 0.73 107.808 160.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.574 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 2.5 m-20 -85.41 -179.46 6.95 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.348 -0.941 . . . . 2.37 109.634 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.961 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 46.7 tt0 -50.15 -43.04 51.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.651 0.612 . . . . 1.42 112.651 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.05 -41.41 40.08 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.62 -0.8 . . . . 0.44 111.917 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.574 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 4.0 mp0 -67.33 -41.05 85.87 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.074 -0.563 . . . . 2.0 110.162 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' HE2' ' O ' ' A' ' 59' ' ' ILE . 58.0 t80 -64.86 -49.98 68.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.846 . . . . 1.47 110.897 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -53.36 -45.47 69.18 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.025 -0.534 . . . . 1.38 110.703 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 24.8 tt0 -69.53 -44.69 70.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 1.74 111.677 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.46 -49.86 73.38 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -59.75 -37.13 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.398 0.618 . . . . 0.4 110.688 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 ttm180 -73.3 -29.96 63.07 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.539 -0.755 . . . . 3.25 111.947 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 56.5 mmtt -95.06 -50.52 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.265 0.468 . . . . 2.33 112.265 -172.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.623 ' CG ' ' HB3' ' B' ' 8' ' ' LEU . 1.9 t70 -103.18 -42.71 5.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.98 -0.688 . . . . 1.88 111.386 -172.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 89.8 mt -78.78 3.1 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.44 109.948 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.7 pt20 -51.0 -21.95 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.908 -1.042 . . . . 1.46 111.412 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.706 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 7.4 p30 -103.14 -47.08 4.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.617 -0.265 . . . . 2.14 110.762 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.669 ' HB2' ' CD ' ' B' ' 9' ' ' GLU . 15.5 t80 -68.66 -35.26 77.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 122.057 0.932 . . . . 1.91 109.435 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD12 HG13 ' A' ' 41' ' ' VAL . 62.9 mt -108.22 23.78 13.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.568 -1.196 . . . . 0.61 110.041 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 18.8 ptpt -47.5 -50.25 23.83 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.319 0.387 . . . . 2.16 111.687 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -65.81 -32.15 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.357 0.599 . . . . 1.25 110.742 -176.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.718 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 34.3 tt0 -76.42 -33.77 58.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.13 110.407 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -69.38 -16.3 63.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.525 -0.761 . . . . 1.7 110.334 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.1 mtpp -82.2 -8.51 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 3.34 110.892 -177.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.63 146.33 50.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.072 0.463 . . . . 1.92 110.078 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -84.93 -44.46 13.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 2.46 111.367 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -67.37 -24.35 65.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 2.5 111.633 -173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 4.0 t -72.85 -40.41 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.568 . . . . 0.66 109.465 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' HE2' ' A' ' 37' ' ' PHE . 19.7 mm -61.74 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.678 -0.86 . . . . 1.05 108.678 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 63' ' ' MET . 43.9 mt-10 -61.43 -34.55 75.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.736 -0.665 . . . . 1.86 111.344 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -60.12 -51.27 70.31 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.992 -0.283 . . . . 1.87 110.576 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 50.0 mt -69.32 -33.15 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.754 0.788 . . . . 1.18 109.936 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.961 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.6 tpt -53.51 -38.18 63.47 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.493 -1.685 . . . . 1.05 111.462 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 4.4 tm-20 -120.91 -29.92 4.51 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 114.673 -2.811 . . . . 2.37 110.988 -172.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.88 -33.93 69.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.05 -0.66 . . . . 1.93 110.235 172.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.97 -18.77 31.68 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.08 -0.388 . . . . 1.26 112.031 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 11.4 t70 -64.27 77.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 122.288 1.042 . . . . 1.39 110.949 -176.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -71.56 -21.84 61.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.858 -1.519 . . . . 1.98 110.001 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.23 -3.63 58.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.159 -0.682 . . . . 2.25 109.159 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.37 25.45 6.02 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.48 -1.237 . . . . 1.15 113.689 168.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 2.7 t70 -120.7 17.96 11.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.331 . . . . 1.95 110.703 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' NZ ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.2 2.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.071 -1.085 . . . . 1.64 108.071 -171.208 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.586 ' OE1' HG21 ' A' ' 31' ' ' THR . 76.3 mt-30 -141.06 143.21 34.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.853 -1.521 . . . . 1.59 109.528 -173.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 52.5 mt -122.06 112.82 18.71 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.283 -0.636 . . . . 0.7 109.283 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -74.43 166.32 23.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.489 -0.93 . . . . 1.42 108.489 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 25.0 p90 -51.01 -38.26 50.22 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.015 -0.274 . . . . 3.07 111.566 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.4 mt-10 -64.17 -41.33 97.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.73 0.3 . . . . 2.03 111.637 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.14 -44.16 63.56 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.457 0.646 . . . . 3.18 110.491 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.516 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 46.4 t80 -71.78 -28.35 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.141 -0.481 . . . . 3.12 110.955 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.9 tp -67.82 -37.29 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 2.0 109.338 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.49 -35.46 68.02 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.28 -0.418 . . . . 2.01 110.073 172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.1 tt -58.3 -41.8 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.435 -0.58 . . . . 1.38 109.435 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.476 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 34.5 mmt -59.14 -25.52 63.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 0.91 110.749 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.724 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.59 -35.34 60.6 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.951 0.405 . . . . 0.35 110.454 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.26 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.704 -0.85 . . . . 1.67 108.704 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 48' ' ' PHE . 31.4 mt -67.16 -34.24 77.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.057 -0.974 . . . . 1.68 109.871 175.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.409 ' HA ' HD13 ' B' ' 16' ' ' ILE . 52.5 m -65.04 -36.1 83.28 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.867 -0.333 . . . . 0.48 110.841 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.694 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.4 t-105 -66.17 -37.2 85.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.06 -0.656 . . . . 3.49 109.577 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.04 91.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 1.18 110.839 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.582 ' OG ' HD13 ' B' ' 16' ' ' ILE . 13.0 p -72.18 -23.89 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 1.74 110.939 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 33.1 t-80 -65.42 -33.25 75.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 3.33 109.194 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.694 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 7.0 mm-40 -75.3 -29.54 60.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.136 -0.938 . . . . 3.3 109.894 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HB2' HD12 ' A' ' 109' ' ' LEU . 24.5 ttpp -84.37 -6.67 59.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 5.63 109.87 174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.504 ' SD ' ' HG3' ' B' ' 29' ' ' PRO . 28.2 ttt -70.96 -6.56 39.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.064 -0.516 . . . . 5.55 110.488 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -73.22 70.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.501 -1.666 . . . . 5.1 106.501 163.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 98' ' ' ASP . 10.4 tp10 -111.04 158.69 18.53 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.263 -1.335 . . . . 5.97 112.011 -161.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.62 -5.3 0.2 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 113.58 -1.646 . . . . 7.17 113.126 167.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 96' ' ' GLU . 27.3 t70 -65.34 -16.82 63.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.925 0.713 . . . . 9.86 112.925 -165.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.79 -22.61 63.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 122.141 0.972 . . . . 8.93 108.761 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' HA3' ' HD2' ' A' ' 101' ' ' PRO . . . -80.59 -153.39 9.17 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 113.924 -1.489 . . . . 6.76 111.637 172.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.442 ' HD2' ' HA3' ' A' ' 100' ' ' GLY . 10.1 Cg_endo -52.62 164.28 1.52 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.704 2.936 . . . . 7.95 112.39 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.55 -7.42 79.18 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 114.944 0.738 . . . . 10.53 114.944 -157.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -140.94 126.51 18.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.352 1.076 . . . . 12.94 110.646 169.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -150.69 151.99 33.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.46 -0.791 . . . . 8.25 108.951 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -130.5 127.43 39.16 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.287 -0.565 . . . . 8.24 109.952 169.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -78.51 108.78 8.6 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.153 -0.684 . . . . 6.23 109.153 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -67.57 158.23 58.11 Favored 'Trans proline' 0 CA--C 1.511 -0.649 0 C-N-CA 122.874 2.383 . . . . 2.91 112.359 -171.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 93.41 28.4 11.59 Favored Glycine 0 N--CA 1.428 -1.894 0 CA-C-N 115.24 -0.891 . . . . 3.18 113.873 168.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 93' ' ' LYS . 2.2 tt -105.38 -43.24 5.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.269 -1.752 . . . . 2.15 106.269 162.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.706 ' HA2' ' O ' ' A' ' 47' ' ' ASN . . . -121.38 -16.24 4.33 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 114.579 -1.191 . . . . 2.79 110.431 171.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.719 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 2.9 mp0 -95.69 155.18 16.85 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.337 -0.932 . . . . 3.67 110.202 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.43 108.66 1.22 Allowed Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.361 -1.4 . . . . 2.84 111.817 169.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.8 p -112.94 139.4 22.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.088 -0.338 . . . . 3.88 110.088 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.835 2.357 . . . . 5.2 112.226 178.858 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.75 0.31 . . . . 9.07 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -93.22 146.46 23.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.751 -0.462 . . . . 6.86 109.751 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -153.28 -179.15 7.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.708 -0.224 . . . . 5.24 110.598 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.72 -46.76 70.92 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.258 0.349 . . . . 2.34 111.475 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 60.8 mtt -37.45 133.66 0.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.414 -0.812 . . . . 2.68 112.676 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.52 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 20.2 t -87.25 179.37 6.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 1.22 110.459 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.06 -48.05 79.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.676 0.621 . . . . 2.47 112.676 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.697 ' O ' HG13 ' B' ' 12' ' ' ILE . 13.4 tp -67.32 -44.04 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.966 -0.753 . . . . 1.81 108.966 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.669 ' CD ' ' HB2' ' A' ' 48' ' ' PHE . 3.9 tp10 -55.98 -50.73 70.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.584 -1.189 . . . . 2.28 111.775 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 6' ' ' SER . 89.2 mtt180 -60.19 -37.87 81.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.802 -0.635 . . . . 3.54 109.89 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.541 ' O ' HG13 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -69.02 -37.43 78.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 1.7 111.132 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.697 HG13 ' O ' ' B' ' 8' ' ' LEU . 58.3 mt -62.2 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 110.062 -0.347 . . . . 0.33 110.062 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.386 . . . . 1.95 111.077 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.1 m -63.77 -37.78 88.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.285 0.564 . . . . 0.44 110.065 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' A' ' 15' ' ' ILE . 4.1 mt -64.47 -49.46 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.72 -0.673 . . . . 0.42 110.674 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.582 HD13 ' OG ' ' A' ' 90' ' ' SER . 93.6 mt -62.45 -39.5 84.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.688 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.694 ' HA ' ' CE1' ' B' ' 20' ' ' HIS . 10.3 m-80 -59.66 -40.72 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.42 -0.355 . . . . 1.76 110.627 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 69.5 m -63.52 -49.53 73.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.357 -0.383 . . . . 0.8 110.582 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' HE1' ' B' ' 79' ' ' PHE . 10.6 m-30 -58.96 -52.49 65.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 3.66 110.69 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 1.2 p-80 -71.08 -20.91 62.3 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 112.776 0.658 . . . . 2.83 112.776 -174.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' B' ' 18' ' ' THR . 2.6 pt20 -73.63 -32.29 63.97 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.647 0.658 . . . . 1.45 110.266 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' B' ' 18' ' ' THR . 79.4 m-85 -78.86 -33.72 45.64 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.27 -0.572 . . . . 1.4 110.641 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 57.8 p -79.48 -30.24 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.04 111.043 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' B' ' 20' ' ' HIS . 5.9 p -66.64 -6.25 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.075 -0.511 . . . . 0.69 111.309 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 69.0 mttm -62.14 -28.78 69.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.343 -0.39 . . . . 2.17 110.119 178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.97 13.16 15.45 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.884 0.698 . . . . 2.04 112.884 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.18 -121.21 6.93 Favored Glycine 0 N--CA 1.461 0.313 0 C-N-CA 120.605 -0.807 . . . . 1.43 111.322 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -60.92 122.11 66.72 Favored Pre-proline 0 CA--C 1.519 -0.234 0 N-CA-C 106.068 -1.827 . . . . 3.7 106.068 166.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.518 ' HB2' ' OG ' ' B' ' 23' ' ' SER . 30.3 Cg_endo -76.45 61.78 6.84 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 C-N-CA 120.63 0.887 . . . . 2.64 113.333 -153.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -70.44 -32.26 69.77 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 120.913 1.688 . . . . 2.56 113.129 -148.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.602 HG21 ' OE1' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -155.59 167.25 30.98 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 125.121 1.368 . . . . 1.4 108.458 -171.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.18 117.26 30.98 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.794 -1.187 . . . . 0.73 107.794 160.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.573 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 2.5 m-20 -85.02 -179.43 7.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.485 -0.886 . . . . 2.37 109.733 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.97 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 46.4 tt0 -50.3 -42.95 53.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.507 0.558 . . . . 1.42 112.507 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.12 -41.07 40.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.447 -0.882 . . . . 0.44 111.974 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.573 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.7 mp0 -67.66 -41.02 84.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 2.01 110.14 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.437 ' HE2' ' O ' ' B' ' 59' ' ' ILE . 57.8 t80 -64.89 -49.85 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.461 -0.79 . . . . 1.47 110.924 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 87.3 mttt -53.5 -45.37 69.65 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.39 110.652 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 24.3 tt0 -69.68 -44.56 70.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 1.75 111.785 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.56 -49.91 73.43 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.463 -0.569 . . . . 1.43 109.463 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.0 t -59.78 -37.02 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.439 0.638 . . . . 0.4 110.735 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.582 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 40.7 ttm180 -73.28 -30.14 63.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.513 -0.767 . . . . 3.25 111.815 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 56.6 mmtt -94.92 -50.57 5.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.275 0.472 . . . . 2.33 112.275 -172.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.624 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 1.9 t70 -103.11 -42.44 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.09 -0.644 . . . . 1.87 111.456 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 90.0 mt -78.95 3.1 18.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.341 0.591 . . . . 0.44 109.926 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.7 pt20 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.94 -1.027 . . . . 1.46 111.536 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.708 ' O ' ' HA2' ' B' ' 110' ' ' GLY . 7.4 p30 -102.83 -47.1 4.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.445 -0.343 . . . . 2.14 110.857 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.673 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 15.6 t80 -68.68 -35.41 77.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 122.056 0.932 . . . . 1.92 109.517 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.41 HD12 HG13 ' B' ' 41' ' ' VAL . 62.8 mt -108.0 23.81 13.91 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.392 -1.276 . . . . 0.61 110.024 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 18.8 ptpt -47.46 -50.46 23.0 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.255 0.347 . . . . 2.15 111.643 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.713 ' HD2' ' N ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -65.83 -31.99 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.474 0.654 . . . . 1.25 110.688 -176.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.713 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 34.6 tt0 -76.52 -33.93 58.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.121 -0.945 . . . . 2.13 110.41 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.25 -16.31 63.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.524 -0.762 . . . . 1.7 110.461 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.1 mtpp -82.37 -8.07 59.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.599 -0.728 . . . . 3.34 110.99 -177.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -127.72 146.72 50.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 1.92 110.089 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.33 -44.69 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.037 -0.529 . . . . 2.46 111.342 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -67.41 -24.28 65.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.766 -0.652 . . . . 2.5 111.736 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 4.0 t -72.69 -40.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.566 -0.531 . . . . 0.66 109.566 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' B' ' 52' ' ' GLU . 19.1 mm -61.56 -40.39 86.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 N-CA-C 108.788 -0.819 . . . . 1.05 108.788 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 63' ' ' MET . 43.9 mt-10 -61.55 -34.65 75.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.7 -0.682 . . . . 1.85 111.214 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.87 -51.22 70.64 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 121.097 -0.241 . . . . 1.87 110.692 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.431 ' HA ' ' OD1' ' B' ' 65' ' ' ASP . 50.4 mt -69.46 -33.24 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.743 0.783 . . . . 1.18 109.961 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.97 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.6 tpt -53.36 -38.15 63.04 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.428 -1.715 . . . . 1.05 111.441 173.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 4.5 tm-20 -120.89 -30.08 4.49 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 114.527 -2.869 . . . . 2.36 110.937 -172.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -57.71 -34.28 69.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.219 173.074 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.62 -18.82 32.18 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 112.052 0.389 . . . . 1.26 112.052 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 11.4 t70 -64.25 78.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.445 1.117 . . . . 1.4 110.959 -176.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 31.2 m -71.7 -21.91 61.72 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.768 -1.56 . . . . 1.98 110.066 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.19 -3.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.043 -0.725 . . . . 2.25 109.043 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.42 25.42 6.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.531 -1.213 . . . . 1.14 113.541 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 2.5 t70 -120.59 18.14 12.02 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.113 -0.367 . . . . 1.95 110.714 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.0 2.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.069 -1.086 . . . . 1.64 108.069 -171.29 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.602 ' OE1' HG21 ' B' ' 31' ' ' THR . 76.3 mt-30 -141.1 143.14 34.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.956 -1.474 . . . . 1.59 109.613 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 52.2 mt -122.12 112.67 18.5 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.284 -0.635 . . . . 0.7 109.284 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -74.72 166.25 23.9 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.484 -0.932 . . . . 1.41 108.484 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.461 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 25.2 p90 -50.84 -38.37 48.6 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.688 0.255 . . . . 3.06 111.688 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.599 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.9 mt-10 -64.14 -41.31 97.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 2.04 111.632 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.07 -44.08 63.86 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.531 0.681 . . . . 3.18 110.553 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.515 ' HE1' ' CE2' ' B' ' 19' ' ' PHE . 46.5 t80 -71.84 -28.27 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.07 -0.513 . . . . 3.12 110.993 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.9 tp -67.94 -37.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.297 -0.631 . . . . 2.0 109.297 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.6 -35.48 68.3 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.989 0.423 . . . . 2.01 110.062 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 82' ' ' LEU . 3.1 tt -58.33 -41.79 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.428 -0.582 . . . . 1.38 109.428 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.478 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 34.5 mmt -59.17 -25.54 64.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.91 110.752 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.62 -35.21 60.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.878 0.37 . . . . 0.35 110.508 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.37 -39.11 92.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.837 -0.801 . . . . 1.67 108.837 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 48' ' ' PHE . 31.8 mt -67.27 -34.27 77.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.034 -0.984 . . . . 1.68 109.793 174.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.418 ' HA ' HD13 ' A' ' 16' ' ' ILE . 51.9 m -64.9 -36.19 83.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.825 -0.35 . . . . 0.48 110.833 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.693 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t-105 -66.25 -36.98 84.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.114 -0.634 . . . . 3.49 109.534 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.93 90.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.89 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 16' ' ' ILE . 12.9 p -72.26 -23.84 61.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.774 0.321 . . . . 1.74 110.912 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 33.5 t-80 -65.5 -33.16 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.606 0.717 . . . . 3.33 109.201 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 6.9 mm-40 -75.35 -29.51 59.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.066 -0.97 . . . . 3.29 109.949 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -84.39 -6.83 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 5.62 109.769 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.478 ' SD ' ' HG3' ' A' ' 29' ' ' PRO . 28.2 ttt -70.95 -6.44 38.64 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.092 -0.504 . . . . 5.55 110.454 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -73.26 70.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.579 -1.637 . . . . 5.11 106.579 163.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 98' ' ' ASP . 10.5 tp10 -110.99 158.82 18.35 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.272 -1.331 . . . . 5.97 112.072 -161.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.99 -5.2 0.22 Allowed Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 113.462 -1.699 . . . . 7.19 113.175 167.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' B' ' 96' ' ' GLU . 26.7 t70 -65.46 -16.29 63.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.914 0.709 . . . . 9.86 112.914 -166.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.84 -23.58 63.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 122.069 0.938 . . . . 8.93 108.736 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.436 ' HA3' ' HD2' ' B' ' 101' ' ' PRO . . . -79.83 -153.13 8.02 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 113.977 -1.465 . . . . 6.77 111.77 172.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.436 ' HD2' ' HA3' ' B' ' 100' ' ' GLY . 10.2 Cg_endo -52.55 164.33 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.737 2.958 . . . . 7.97 112.504 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.67 -7.64 80.17 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.999 0.76 . . . . 10.54 114.999 -157.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -140.88 126.39 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.095 0.948 . . . . 12.94 110.56 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -150.48 152.51 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.399 -0.818 . . . . 8.26 108.875 173.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.72 127.49 38.91 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.538 . . . . 8.24 109.95 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -78.32 109.02 8.94 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.172 -0.677 . . . . 6.24 109.172 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.405 ' HA ' ' OE2' ' B' ' 111' ' ' GLU . 91.6 Cg_endo -67.68 158.11 58.68 Favored 'Trans proline' 0 CA--C 1.51 -0.683 0 C-N-CA 122.831 2.354 . . . . 2.91 112.341 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.725 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 93.49 28.71 11.0 Favored Glycine 0 N--CA 1.427 -1.922 0 CA-C-N 115.268 -0.878 . . . . 3.17 113.837 168.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.2 tt -105.56 -43.23 4.99 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.323 -1.732 . . . . 2.15 106.323 162.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.708 ' HA2' ' O ' ' B' ' 47' ' ' ASN . . . -121.42 -16.36 4.27 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 114.403 -1.271 . . . . 2.79 110.424 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.725 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 2.8 mp0 -95.38 155.45 16.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.497 -0.852 . . . . 3.68 110.221 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.67 108.56 1.19 Allowed Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 119.355 -1.403 . . . . 2.85 111.827 169.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 23.1 p -112.8 139.58 23.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 110.113 -0.328 . . . . 3.89 110.113 171.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.743 2.295 . . . . 5.21 111.985 178.447 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.534 -0.173 . . . . 9.06 110.534 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m 59.57 63.37 1.54 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.378 0.424 . . . . 6.86 110.335 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t 69.54 135.43 0.03 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.307 -0.86 . . . . 5.23 110.44 -174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -86.17 9.59 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.151 -0.477 . . . . 2.34 111.637 -174.394 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.439 ' HB3' ' HB2' ' A' ' 9' ' ' GLU . 66.3 mtm -42.09 129.33 3.66 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.689 0.618 . . . . 2.68 111.263 173.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -75.39 178.38 5.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.783 -1.099 . . . . 1.22 110.874 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.78 -45.28 78.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.385 -0.371 . . . . 2.47 110.4 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' ILE . 14.5 tp -65.81 -45.76 81.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.118 -0.492 . . . . 1.81 110.445 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.685 ' OE1' ' HA ' ' B' ' 45' ' ' LEU . 4.5 mm-40 -57.44 -51.32 69.91 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 2.29 110.854 -174.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.79 -38.52 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.434 -0.803 . . . . 3.54 110.951 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.64 -40.28 76.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 1.71 110.664 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.0 mt -62.66 -47.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.32 110.034 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.68 -35.66 72.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.785 -0.643 . . . . 1.95 111.555 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.1 m -66.4 -39.01 88.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.192 0.52 . . . . 0.44 110.495 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 66.4 mt -67.38 -48.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 0.42 110.39 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 12' ' ' ILE . 67.0 mt -60.41 -36.94 72.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.591 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.85 -39.69 83.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.684 -0.234 . . . . 1.76 111.151 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 55.6 m -62.56 -44.47 96.25 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.315 -0.624 . . . . 0.8 109.315 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.87 -49.08 69.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.546 -0.752 . . . . 3.66 109.817 170.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -55.58 -50.85 68.99 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.883 -0.599 . . . . 2.82 112.313 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.2 pt20 -61.67 -37.56 84.53 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.201 -0.2 . . . . 1.45 111.067 -173.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.89 -38.74 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.705 -0.398 . . . . 1.4 111.283 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.818 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 36.8 p -69.99 -38.66 76.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.496 0.665 . . . . 1.04 110.741 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.8 p -72.11 -3.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.281 -0.872 . . . . 0.69 111.452 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 48.0 mtpt -63.97 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 2.17 109.754 174.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tt -88.17 -23.51 23.59 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.683 -0.69 . . . . 2.04 111.062 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -105.21 1.04 Allowed Glycine 0 C--O 1.228 -0.263 0 N-CA-C 111.44 -0.664 . . . . 1.43 111.44 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.98 95.34 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.212 0 N-CA-C 106.759 -1.571 . . . . 3.7 106.759 166.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.818 ' O ' ' HB2' ' A' ' 23' ' ' SER . 62.8 Cg_endo -74.7 31.55 0.35 Allowed 'Trans proline' 0 C--O 1.219 -0.441 0 N-CA-C 116.319 1.623 . . . . 2.64 116.319 -151.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 5.81 2.2 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.282 2.764 . . . . 2.56 113.87 -146.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -156.74 163.7 38.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.493 0.717 . . . . 1.4 110.771 -174.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.22 123.97 42.57 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.33 -0.989 . . . . 0.73 108.33 160.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.83 173.49 12.55 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.812 -0.755 . . . . 2.37 109.672 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 40.2 tt0 -50.66 -44.26 57.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.365 0.416 . . . . 1.42 111.081 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.15 70.36 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.639 -0.791 . . . . 0.44 111.593 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 1.2 mp0 -69.29 -43.36 73.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.576 -0.312 . . . . 2.0 111.172 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.07 -49.46 69.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.82 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 44.3 mtpt -64.25 -33.53 76.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.399 . . . . 1.38 110.481 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' HE2' ' A' ' 43' ' ' LYS . 34.2 tt0 -69.81 -45.45 67.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.647 -0.706 . . . . 1.74 110.411 177.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.21 -46.85 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.43 109.728 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 70.2 t -59.39 -37.43 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.4 110.565 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 14.2 ttm180 -72.94 -28.3 62.35 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.99 -0.55 . . . . 3.25 111.701 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 39' ' ' GLU . 66.7 mttm -104.72 -45.96 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.314 0.857 . . . . 2.33 113.314 -173.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -43.67 7.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.049 -0.66 . . . . 1.88 111.494 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 59.9 mt -86.96 3.08 47.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.932 0.396 . . . . 0.44 110.614 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 10.4 pt20 -52.25 -24.38 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.64 . . . . 1.46 111.609 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.486 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 2.9 t-20 -94.88 -48.51 5.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.374 -0.375 . . . . 2.14 110.465 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.657 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -76.23 -35.41 59.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 1.91 110.344 -175.493 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 mt -99.23 26.54 5.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 0.61 110.024 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.12 -57.31 3.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.0 -0.545 . . . . 2.16 111.713 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.43 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.779 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 0.7 OUTLIER -73.11 -38.03 66.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 2.13 110.557 176.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -15.69 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.614 0.721 . . . . 1.7 110.177 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -82.03 -3.66 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.167 -0.924 . . . . 3.34 110.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -131.27 169.75 15.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 1.92 110.399 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -109.39 -49.56 3.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 2.46 110.001 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.06 -31.0 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.788 -0.642 . . . . 2.5 111.589 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 23.1 t -64.53 -35.81 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.43 -0.35 . . . . 0.66 110.317 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.411 HD12 HG11 ' A' ' 41' ' ' VAL . 11.5 mm -70.58 -35.83 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 1.05 109.663 178.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.4 -36.68 83.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.179 -0.464 . . . . 1.86 110.931 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -67.53 -48.5 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 1.87 110.32 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.32 -33.87 63.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.356 0.598 . . . . 1.18 109.83 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.41 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 13.7 tpt -60.8 -52.6 64.39 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 114.565 -1.198 . . . . 1.05 111.586 176.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.0 tt0 -99.13 -28.26 13.45 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 113.665 -3.214 . . . . 2.37 108.842 -159.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.099 -0.64 . . . . 1.93 110.395 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 57.2 mt -74.72 -30.62 61.58 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.9 -0.32 . . . . 1.26 111.427 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 32.9 t0 -63.69 78.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.834 0.854 . . . . 1.39 111.43 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.2 m -63.49 -26.3 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.013 -0.994 . . . . 1.98 111.001 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.58 -4.46 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.471 -0.566 . . . . 2.25 109.471 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.55 25.64 4.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.79 -1.096 . . . . 1.15 112.814 172.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.61 22.87 11.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 1.95 111.109 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.96 41.96 4.49 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.616 -0.883 . . . . 1.64 108.616 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 92.6 mt-30 -141.74 142.0 33.27 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.467 -1.242 . . . . 1.59 110.257 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 42.0 mt -119.18 113.36 20.77 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.948 -0.76 . . . . 0.7 108.948 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.489 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 7.7 t -77.74 172.15 13.86 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.757 -1.201 . . . . 1.42 107.757 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.511 ' CB ' HG21 ' B' ' 87' ' ' THR . 1.4 p90 -53.84 -39.93 66.04 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.702 0.63 . . . . 3.07 112.702 -175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.1 mt-10 -67.39 -36.16 80.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.971 0.415 . . . . 2.03 110.86 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 mp0 -69.83 -46.22 66.09 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.505 0.669 . . . . 3.18 109.906 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 60.7 t80 -68.68 -29.2 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.672 . . . . 3.12 111.105 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.45 -40.21 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.422 -0.511 . . . . 2.0 110.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.53 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 89.4 mmm -55.21 -31.88 61.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 2.01 111.328 170.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.7 tm? -62.75 -39.21 93.43 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.631 -0.507 . . . . 1.38 109.631 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.6 mmt -60.23 -30.62 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.91 109.958 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.76 -30.61 59.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.35 110.607 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' MET . 32.0 mtp85 -68.12 -36.44 79.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.645 0.736 . . . . 1.67 109.128 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.91 -30.28 70.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.126 -0.943 . . . . 1.68 109.411 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.51 HG21 ' CB ' ' B' ' 76' ' ' PHE . 76.7 m -70.86 -26.36 63.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.562 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.3 m0 -66.06 -36.04 82.16 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.388 -0.967 . . . . 3.49 108.388 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -63.48 -46.03 88.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.914 -1.039 . . . . 1.18 110.508 175.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 94' ' ' MET . 37.9 m -77.06 -1.54 29.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.219 -0.446 . . . . 1.74 111.876 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 39.5 t-80 -80.62 -40.93 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 3.33 108.284 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 2.6 pt-20 -79.46 -38.05 35.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.635 -1.166 . . . . 3.3 110.105 172.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -86.07 9.85 16.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.379 0.609 . . . . 5.63 110.536 179.078 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' ' 90' ' ' SER . 17.3 tmm? -60.93 -24.76 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 5.55 110.48 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -83.05 68.8 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.523 -0.547 . . . . 5.1 109.523 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 38.1 tt0 -99.2 122.21 42.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.578 -0.737 . . . . 5.97 109.874 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.83 -13.62 82.91 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.566 -0.743 . . . . 7.17 111.582 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 34.1 m-20 -70.16 -31.61 69.19 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.798 0.332 . . . . 9.86 111.544 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.73 20.3 12.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.07 0.462 . . . . 8.93 110.475 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.23 -162.09 9.2 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.428 -0.891 . . . . 6.76 113.374 -172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 104' ' ' HIS . 54.3 Cg_exo -55.63 163.28 5.47 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 124.181 3.254 . . . . 7.95 112.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.93 -7.3 83.85 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.568 -0.742 . . . . 10.53 113.363 -166.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -137.92 127.1 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.492 0.663 . . . . 12.94 109.31 169.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.626 ' CE1' ' HD2' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -150.16 167.18 27.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.522 -1.217 . . . . 8.25 109.639 -173.504 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -90.71 160.1 16.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 8.24 109.8 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 40.6 ttmt -68.13 130.66 92.42 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 114.264 1.209 . . . . 6.23 114.264 -156.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 71.7 Cg_endo -67.14 164.85 28.61 Favored 'Trans proline' 0 CA--C 1.511 -0.666 0 C-N-CA 124.851 3.701 . . . . 2.91 110.864 168.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 111' ' ' GLU . . . 98.21 50.74 1.55 Allowed Glycine 0 N--CA 1.428 -1.837 0 C-N-CA 117.778 -2.153 . . . . 3.18 115.307 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -74.35 -33.09 63.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.221 -1.4 . . . . 2.15 107.221 169.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.579 ' N ' HD22 ' A' ' 109' ' ' LEU . . . -123.69 -16.9 3.26 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.386 -1.086 . . . . 2.79 110.386 163.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.519 ' HB2' ' HA2' ' A' ' 108' ' ' GLY . 1.5 mt-10 -81.37 155.93 25.7 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.623 -0.788 . . . . 3.67 111.485 -171.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.91 106.93 2.02 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.137 -1.506 . . . . 2.84 111.047 165.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' A' ' 107' ' ' PRO . 69.5 m -130.09 134.53 26.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.245 -0.65 . . . . 3.88 109.245 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 122.992 2.461 . . . . 5.2 112.65 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.399 -0.223 . . . . 9.07 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.8 m 59.56 63.56 1.5 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.002 0.43 . . . . 6.86 110.327 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t 69.22 135.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.298 -0.865 . . . . 5.24 110.515 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -85.93 9.74 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 2.34 111.799 -174.533 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' B' ' 9' ' ' GLU . 65.6 mtm -42.41 129.27 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.842 0.714 . . . . 2.68 111.183 173.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -75.31 178.52 5.77 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.798 -1.092 . . . . 1.22 110.958 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.88 -45.31 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.302 -0.408 . . . . 2.47 110.271 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.546 ' O ' HG13 ' B' ' 12' ' ' ILE . 14.4 tp -65.84 -45.77 80.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.81 110.541 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.701 ' OE1' ' HA ' ' A' ' 45' ' ' LEU . 4.4 mm-40 -57.32 -51.32 69.85 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.261 0.553 . . . . 2.28 110.876 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -60.81 -38.54 85.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 3.54 110.958 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.7 -40.22 76.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 1.7 110.552 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.546 HG13 ' O ' ' B' ' 8' ' ' LEU . 84.1 mt -62.83 -47.83 90.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.394 . . . . 0.33 109.973 177.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.68 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 1.95 111.66 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.1 m -66.48 -39.17 88.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.128 0.489 . . . . 0.44 110.478 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 66.1 mt -67.32 -48.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.42 110.368 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 12' ' ' ILE . 67.2 mt -60.41 -36.85 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.679 -0.691 . . . . 0.42 110.634 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -67.84 -39.94 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.629 -0.259 . . . . 1.76 111.118 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 54.2 m -62.33 -44.63 96.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.285 -0.635 . . . . 0.8 109.285 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -53.86 -48.93 69.51 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.493 -0.776 . . . . 3.66 109.858 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -55.73 -50.82 69.33 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.964 -0.562 . . . . 2.83 112.287 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 18' ' ' THR . 21.2 pt20 -61.65 -37.54 84.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.179 -0.208 . . . . 1.45 111.017 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.01 -38.58 36.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.64 -0.424 . . . . 1.4 111.261 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.812 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 36.9 p -70.08 -38.74 75.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.488 0.661 . . . . 1.04 110.623 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.561 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.8 p -72.12 -4.18 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.376 -0.829 . . . . 0.69 111.411 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 47.9 mtpt -63.88 -22.43 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 2.17 109.678 174.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.32 -23.48 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.667 -0.697 . . . . 2.04 111.119 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.68 -105.25 1.04 Allowed Glycine 0 C--O 1.229 -0.171 0 N-CA-C 111.379 -0.688 . . . . 1.43 111.379 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.93 95.42 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.205 0 N-CA-C 106.721 -1.585 . . . . 3.7 106.721 166.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' B' ' 23' ' ' SER . 61.8 Cg_endo -74.73 31.69 0.35 Allowed 'Trans proline' 0 C--O 1.22 -0.4 0 N-CA-C 116.316 1.622 . . . . 2.64 116.316 -151.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.71 5.82 2.28 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 123.386 2.812 . . . . 2.56 113.74 -146.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.6 OUTLIER -156.67 163.62 39.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.476 0.71 . . . . 1.4 110.88 -174.28 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.27 124.04 42.68 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.309 -0.997 . . . . 0.73 108.309 160.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -80.96 173.15 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.778 -0.769 . . . . 2.37 109.626 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 39.9 tt0 -50.25 -44.16 53.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.91 0.386 . . . . 1.42 111.19 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.26 -35.19 69.75 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.646 -0.788 . . . . 0.44 111.647 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' B' ' 25' ' ' LYS . 1.3 mp0 -69.47 -43.29 73.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.343 . . . . 2.01 111.149 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 41' ' ' VAL . 55.0 t80 -65.02 -49.56 69.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.825 -177.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 34' ' ' GLN . 44.0 mtpt -64.05 -33.56 76.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.901 0.381 . . . . 1.39 110.5 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.414 ' HG3' ' HE2' ' B' ' 43' ' ' LYS . 34.2 tt0 -69.71 -45.49 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.723 -0.671 . . . . 1.75 110.477 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.36 -46.77 85.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 1.43 109.74 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.5 t -59.33 -37.39 69.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.81 -0.632 . . . . 0.4 110.593 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.665 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 14.3 ttm180 -73.0 -28.46 62.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 3.25 111.674 -175.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.414 ' HE2' ' HG3' ' B' ' 39' ' ' GLU . 66.7 mttm -104.62 -45.98 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.34 0.867 . . . . 2.33 113.34 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.41 -43.78 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.064 -0.654 . . . . 1.87 111.518 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.685 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 60.9 mt -86.9 2.97 47.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 0.44 110.665 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.665 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 10.2 pt20 -52.3 -24.12 6.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.747 -0.66 . . . . 1.46 111.643 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.475 ' O ' ' HA3' ' B' ' 110' ' ' GLY . 3.0 t-20 -94.99 -48.53 5.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.342 -176.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.647 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -76.18 -35.45 59.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.339 0.59 . . . . 1.92 110.361 -175.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -99.27 26.66 5.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.393 -0.821 . . . . 0.61 110.022 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.22 -57.38 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.657 0.598 . . . . 2.15 111.718 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 1.25 111.68 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.467 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -73.13 -37.99 66.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.376 . . . . 2.13 110.626 176.296 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -69.71 -15.68 63.2 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.63 0.728 . . . . 1.7 110.116 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -81.97 -3.98 55.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.173 -0.921 . . . . 3.34 110.127 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -131.02 169.88 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.92 110.305 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -109.56 -49.45 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.923 -0.581 . . . . 2.46 110.035 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -62.15 -31.06 71.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 2.5 111.571 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 22.8 t -64.43 -35.96 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.98 0.419 . . . . 0.66 110.322 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.408 HD12 HG11 ' B' ' 41' ' ' VAL . 11.6 mm -70.55 -35.91 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.577 -0.527 . . . . 1.05 109.577 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.41 -36.77 83.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.112 0.482 . . . . 1.85 110.809 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -67.56 -48.33 67.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 1.87 110.372 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 58' ' ' VAL . 59.1 mt -63.44 -33.71 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 1.18 109.942 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.42 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 13.7 tpt -60.87 -52.58 64.47 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 114.528 -1.214 . . . . 1.05 111.699 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.521 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 26.5 tt0 -99.22 -28.12 13.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 113.671 -3.212 . . . . 2.36 108.764 -159.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.68 -38.0 71.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.262 -0.575 . . . . 1.93 110.495 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' B' ' 78' ' ' GLU . 56.7 mt -75.04 -30.67 61.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.958 -0.297 . . . . 1.26 111.412 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 31.2 t0 -63.68 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.076 0.86 . . . . 1.4 111.277 -175.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.6 m -64.29 -26.57 68.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.904 -1.044 . . . . 1.98 110.961 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -87.47 -4.29 59.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 2.25 109.523 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.78 25.65 5.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.029 -0.987 . . . . 1.14 112.758 171.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.75 22.88 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.5 -0.318 . . . . 1.95 111.205 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.95 41.95 4.52 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.591 -0.892 . . . . 1.64 108.591 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.464 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 92.7 mt-30 -141.72 142.42 33.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.374 -1.284 . . . . 1.59 110.122 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.42 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 41.7 mt -119.59 113.32 20.53 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.009 -0.737 . . . . 0.7 109.009 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.476 ' HB3' ' OE2' ' B' ' 78' ' ' GLU . 7.6 t -77.68 171.98 14.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.876 -1.157 . . . . 1.41 107.876 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' A' ' 87' ' ' THR . 1.3 p90 -53.66 -40.06 65.57 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 112.612 0.597 . . . . 3.06 112.612 -175.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.483 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.0 mt-10 -67.56 -35.54 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 2.04 110.952 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' B' ' 75' ' ' SER . 1.4 mp0 -70.43 -46.18 64.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.593 0.711 . . . . 3.18 109.824 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.474 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 60.5 t80 -68.7 -29.15 67.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.635 -0.712 . . . . 3.12 111.134 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.56 -40.13 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.387 -0.525 . . . . 2.0 110.012 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 89.0 mmm -55.3 -31.76 61.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.52 0.2 . . . . 2.01 111.323 170.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.7 tm? -62.82 -39.17 93.49 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.625 -0.509 . . . . 1.38 109.625 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.5 mmt -60.3 -30.39 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.91 110.039 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.85 -30.65 58.99 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.687 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' B' ' 81' ' ' MET . 32.2 mtp85 -67.97 -36.74 80.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.664 0.745 . . . . 1.67 109.115 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.8 -30.15 70.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.155 -0.929 . . . . 1.68 109.445 171.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.511 HG21 ' CB ' ' A' ' 76' ' ' PHE . 77.3 m -70.91 -26.47 63.23 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.458 -0.497 . . . . 0.48 110.518 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.523 ' CD2' ' HA ' ' B' ' 85' ' ' ARG . 44.2 m0 -65.94 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.456 -0.942 . . . . 3.49 108.456 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -63.8 -45.92 87.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.911 -1.04 . . . . 1.18 110.49 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' B' ' 94' ' ' MET . 36.8 m -76.92 -1.74 30.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.271 -0.422 . . . . 1.74 111.906 174.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -80.57 -40.99 24.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 3.33 108.316 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 2.7 pt-20 -79.51 -37.91 35.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.704 -1.134 . . . . 3.29 110.136 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.499 ' O ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -85.96 9.59 16.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.362 0.601 . . . . 5.62 110.59 178.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' B' ' 90' ' ' SER . 17.1 tmm? -60.8 -24.72 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 5.55 110.52 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -83.07 68.67 9.63 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.503 -0.555 . . . . 5.11 109.503 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 38.2 tt0 -98.85 122.44 42.09 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.585 -0.734 . . . . 5.97 109.898 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.97 -13.82 82.79 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.507 -0.769 . . . . 7.19 111.5 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.443 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 29.8 m-20 -70.22 -31.46 68.9 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 120.711 0.291 . . . . 9.86 111.634 -173.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.01 20.33 12.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.909 0.385 . . . . 8.93 110.607 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.29 -162.1 9.2 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.467 -0.873 . . . . 6.77 113.349 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.624 ' HD2' ' CE1' ' B' ' 104' ' ' HIS . 54.4 Cg_exo -55.51 163.39 5.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.338 3.359 . . . . 7.97 112.967 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.84 -7.28 83.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.448 -0.796 . . . . 10.54 113.376 -166.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -138.19 127.02 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.546 0.688 . . . . 12.94 109.211 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.624 ' CE1' ' HD2' ' B' ' 101' ' ' PRO . 0.1 OUTLIER -150.28 167.02 28.21 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.513 -1.221 . . . . 8.26 109.624 -173.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -90.56 160.18 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 8.24 109.74 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' B' ' 107' ' ' PRO . 40.6 ttmt -68.0 130.78 92.54 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 114.24 1.2 . . . . 6.24 114.24 -156.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.537 ' O ' ' HG2' ' B' ' 106' ' ' LYS . 73.6 Cg_endo -67.36 165.08 28.16 Favored 'Trans proline' 0 CA--C 1.509 -0.726 0 C-N-CA 124.785 3.657 . . . . 2.91 110.895 168.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.525 ' HA2' ' HB2' ' B' ' 111' ' ' GLU . . . 98.12 50.8 1.55 Allowed Glycine 0 N--CA 1.429 -1.814 0 C-N-CA 117.78 -2.152 . . . . 3.17 115.224 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.587 HD22 ' N ' ' B' ' 110' ' ' GLY . 0.0 OUTLIER -74.39 -33.2 62.97 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.323 -1.362 . . . . 2.15 107.323 169.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.587 ' N ' HD22 ' B' ' 109' ' ' LEU . . . -123.57 -16.81 3.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.461 -1.056 . . . . 2.79 110.461 163.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.525 ' HB2' ' HA2' ' B' ' 108' ' ' GLY . 1.4 mt-10 -81.33 156.06 25.69 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.674 -0.763 . . . . 3.68 111.376 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.02 106.95 2.01 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 119.134 -1.508 . . . . 2.85 110.989 165.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.448 ' HB ' ' HG2' ' B' ' 107' ' ' PRO . 63.5 m -130.2 134.21 25.84 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.282 -0.636 . . . . 3.89 109.282 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.249 1.056 0 C-N-CA 122.983 2.455 . . . . 5.21 112.615 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.932 0.396 . . . . 9.06 110.675 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -96.6 -83.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.808 -0.442 . . . . 6.86 109.808 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -70.98 -46.28 62.59 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.795 -1.187 . . . . 5.23 107.795 169.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' HE2' ' CD ' ' B' ' 46' ' ' GLN . 20.3 tptt -169.72 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.806 -1.088 . . . . 2.34 110.756 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.699 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 94.3 mtp -23.1 116.64 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.845 1.341 . . . . 2.68 113.537 -174.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -75.84 176.9 7.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.965 -1.471 . . . . 1.22 111.509 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.27 -48.38 80.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.109 0.481 . . . . 2.47 110.919 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' HG13 ' A' ' 12' ' ' ILE . 3.2 tm? -63.21 -43.67 97.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.139 -0.937 . . . . 1.81 109.13 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' OE1' ' HA ' ' A' ' 5' ' ' MET . 7.2 tt0 -63.19 -50.17 71.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.132 -1.395 . . . . 2.29 111.701 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HD2' ' HE1' ' A' ' 5' ' ' MET . 18.3 mmm180 -59.73 -35.39 74.46 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.954 -0.567 . . . . 3.54 111.176 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 95.6 m-20 -66.96 -37.56 84.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.871 -0.604 . . . . 1.71 110.841 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 28.7 mt -62.47 -49.51 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.32 109.965 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.6 -42.42 92.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.365 -0.834 . . . . 1.95 110.186 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -65.61 -41.62 92.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.839 -0.619 . . . . 0.44 110.919 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' B' ' 15' ' ' ILE . 8.7 mt -63.35 -47.08 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.321 -0.399 . . . . 0.42 110.664 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 12' ' ' ILE . 96.7 mt -56.44 -52.11 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 0.42 111.531 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.71 0.263 . . . . 1.76 111.71 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.756 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 84.0 m -71.02 -51.59 24.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.425 -0.51 . . . . 0.8 110.383 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HD2' HD11 ' A' ' 32' ' ' LEU . 38.3 m-85 -59.35 -42.33 91.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.034 0.445 . . . . 3.66 110.348 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 8.7 t-80 -70.66 -23.99 62.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.794 -0.639 . . . . 2.82 111.83 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.756 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.1 pt20 -73.59 -32.15 63.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.219 -0.66 . . . . 1.45 109.219 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 18' ' ' THR . 92.3 m-85 -79.59 -33.24 41.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.4 110.962 174.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 29' ' ' PRO . 84.7 p -66.63 -41.62 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.573 0.702 . . . . 1.04 109.19 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 28' ' ' HIS . 4.2 p -75.65 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.051 -0.977 . . . . 0.69 112.155 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 27.5 mtpp -58.92 -29.38 67.04 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.798 0.666 . . . . 2.17 112.798 -176.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 29' ' ' PRO . 25.1 tp -89.95 12.63 16.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.146 0.498 . . . . 2.04 111.095 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.09 -96.5 0.22 Allowed Glycine 0 N--CA 1.453 -0.223 0 N-CA-C 111.402 -0.679 . . . . 1.43 111.402 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.684 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 76.6 m-70 -131.32 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 113.431 0.9 . . . . 3.7 113.431 170.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 85.5 Cg_exo -56.48 166.37 3.6 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.55 2.167 . . . . 2.64 115.388 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.71 8.76 10.64 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.466 -2.152 . . . . 2.56 108.317 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -127.63 149.55 50.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.03 -1.441 . . . . 1.4 109.727 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD11 ' HD2' ' A' ' 19' ' ' PHE . 76.3 mt -91.88 118.77 31.04 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 108.195 -1.039 . . . . 0.73 108.195 169.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 1.7 m-20 -85.41 168.81 14.27 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.559 -0.904 . . . . 2.37 108.559 178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.901 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 29.8 tt0 -51.23 -40.17 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.413 0.523 . . . . 1.42 112.413 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.02 -41.91 38.68 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.668 -0.777 . . . . 0.44 111.931 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.523 ' OE2' ' HB2' ' A' ' 33' ' ' ASN . 4.9 mp0 -65.79 -40.79 92.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.181 -0.51 . . . . 2.0 110.732 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.31 -47.32 76.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.47 110.919 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 94.4 mttt -54.05 -48.31 70.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.781 0.324 . . . . 1.38 110.609 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.689 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 37.2 tt0 -64.66 -46.82 80.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.654 . . . . 1.74 110.751 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 19' ' ' PHE . 9.4 tt -57.44 -50.23 73.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 1.43 109.915 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 50.2 t -55.91 -37.1 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.903 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 79.7 mtt180 -70.46 -30.15 66.91 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.36 0.874 . . . . 3.25 113.36 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.48 -41.93 4.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.535 1.309 . . . . 2.33 114.535 -173.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . 2.0 p30 -106.8 -25.42 11.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.426 1.012 . . . . 1.88 113.059 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 96.2 mt -98.24 1.84 47.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.996 0.427 . . . . 0.44 110.357 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.616 ' CD ' ' HE2' ' B' ' 4' ' ' LYS . 14.8 pt20 -53.21 -21.22 4.88 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.318 0.858 . . . . 1.46 113.318 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.489 ' HB3' ' CD ' ' B' ' 9' ' ' GLU . 26.0 t-20 -95.35 -39.35 10.07 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.987 -0.445 . . . . 2.14 109.954 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HA ' ' HB2' ' A' ' 109' ' ' LEU . 2.6 m-30 -73.59 -35.65 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.482 0.658 . . . . 1.91 110.594 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 86' ' ' LEU . 87.8 mt -106.77 26.4 10.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.404 -0.817 . . . . 0.61 109.593 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 39.2 ttmt -46.0 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 2.16 112.952 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.14 -30.79 69.12 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.128 -0.629 . . . . 1.25 110.259 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 58' ' ' VAL . 15.5 mp0 -65.23 -37.69 88.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 2.13 111.551 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 46' ' ' GLN . 21.3 p30 -72.78 -14.64 61.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.919 0.39 . . . . 1.7 111.298 -170.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.36 -9.06 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.562 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -122.81 145.7 48.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 1.92 109.629 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 48.5 mt-10 -87.93 -39.95 14.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.219 -0.446 . . . . 2.46 110.641 -177.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.45 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.602 -0.726 . . . . 2.5 111.522 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG11 ' HG3' ' A' ' 52' ' ' GLU . 43.5 t -65.68 -41.75 91.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.66 110.278 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.488 HD12 HG11 ' A' ' 41' ' ' VAL . 19.0 mm -69.17 -35.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.562 -0.533 . . . . 1.05 109.562 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 47.8 mt-10 -59.54 -36.17 75.64 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.283 -0.417 . . . . 1.86 110.987 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -68.42 -49.01 63.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.631 -0.258 . . . . 1.87 110.702 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.06 -33.8 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 121.965 0.888 . . . . 1.18 109.568 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.901 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 11.2 tpt -60.31 -39.62 87.63 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 113.257 -1.792 . . . . 1.05 111.959 176.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 7.9 tm-20 -115.64 -27.7 7.01 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.313 -2.955 . . . . 2.37 109.668 -169.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -34.02 64.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.035 -0.266 . . . . 1.93 110.39 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -91.42 -11.8 36.61 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 112.588 0.588 . . . . 1.26 112.588 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.571 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 16.5 t0 -63.6 94.72 0.09 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.558 1.171 . . . . 1.39 111.84 -171.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.97 -45.64 42.36 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.67 -2.059 . . . . 1.98 113.136 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -96.71 -0.31 48.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.496 -0.32 . . . . 2.25 111.296 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.84 25.44 6.68 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.576 0.703 . . . . 1.15 110.347 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -117.45 19.62 13.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.047 -0.979 . . . . 1.95 109.372 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.8 48.15 1.94 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.748 -1.114 . . . . 1.64 110.118 -178.159 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -143.27 140.08 30.47 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.058 -0.974 . . . . 1.59 110.314 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' ASP . 32.1 mt -108.65 118.6 37.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.482 -0.326 . . . . 0.7 110.38 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 46.5 t -69.16 158.29 35.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.74 -0.837 . . . . 1.42 108.74 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 31.9 p90 -53.22 -38.96 63.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.962 0.41 . . . . 3.07 111.341 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' ILE . 11.0 mt-10 -59.89 -31.78 70.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.569 -0.741 . . . . 2.03 111.045 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 75' ' ' SER . 3.5 mp0 -86.05 -37.71 18.6 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.241 0.46 . . . . 3.18 112.241 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -73.0 -25.98 61.17 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.414 -0.914 . . . . 3.12 109.924 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.8 tp -67.37 -41.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.398 -0.593 . . . . 2.0 109.398 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 82.4 mmm -57.58 -31.35 66.07 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.567 -0.288 . . . . 2.01 111.388 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 tm? -64.42 -36.76 85.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.769 -0.826 . . . . 1.38 108.769 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 23.7 mmt -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.91 109.98 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -71.16 -37.46 72.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.713 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 81' ' ' MET . 18.5 mtp180 -62.2 -40.18 95.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.43 0.633 . . . . 1.67 109.339 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 57.3 mt -70.53 -25.05 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.716 . . . . 1.68 110.129 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 55.3 m -69.69 -35.29 74.96 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.48 110.234 176.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.556 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 89.8 t90 -65.08 -36.76 85.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.732 -0.84 . . . . 3.49 108.732 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.05 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.57 -0.741 . . . . 1.18 110.597 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -79.57 -22.23 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.382 . . . . 1.74 110.464 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -68.62 -32.48 72.39 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.828 -1.175 . . . . 3.33 107.828 169.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.2 mm-40 -73.27 -26.21 61.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.83 174.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.552 ' HG3' ' OE2' ' A' ' 111' ' ' GLU . 5.9 tmmm? -81.11 -20.97 40.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 5.63 109.586 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.9 tpt -63.14 -32.85 74.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.387 -0.597 . . . . 5.55 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -102.44 71.03 1.19 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.573 -0.739 . . . . 5.1 109.05 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.515 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 37.7 tt0 -51.79 124.78 13.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.048 -0.978 . . . . 5.97 110.644 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -59.09 -13.88 22.29 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.877 -1.056 . . . . 7.17 112.142 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.515 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 38.8 t70 -70.71 -22.22 62.47 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 120.79 0.329 . . . . 9.86 111.543 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -70.43 -25.54 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 8.93 110.83 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.27 80.05 0.11 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.88 -0.888 . . . . 6.76 110.88 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.38 137.12 20.49 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.818 2.346 . . . . 7.95 114.187 -173.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.45 -40.31 3.01 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 108.387 -1.885 . . . . 10.53 108.387 162.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -142.49 144.9 33.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.993 -1.484 . . . . 12.94 106.993 167.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.17 104.78 16.79 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.04 -0.664 . . . . 8.25 110.458 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -99.03 161.39 13.65 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.986 -1.006 . . . . 8.24 108.904 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -67.07 118.15 52.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.253 -0.647 . . . . 6.23 109.253 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 94.8 Cg_exo -48.05 139.23 20.89 Favored 'Trans proline' 0 C--O 1.21 -0.919 0 C-N-CA 123.874 3.049 . . . . 2.91 116.373 -171.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' HA3' ' HB2' ' A' ' 93' ' ' LYS . . . 51.31 -39.7 0.01 OUTLIER Glycine 0 C--N 1.3 -1.439 0 N-CA-C 120.832 3.093 . . . . 3.18 120.832 170.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 48' ' ' PHE . 4.2 mp -141.36 -58.56 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 121.386 2.593 . . . . 2.15 109.456 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.64 0.32 3.76 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 111.858 -2.428 . . . . 2.79 110.031 171.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' O ' ' HD2' ' A' ' 107' ' ' PRO . 39.1 mt-10 -52.96 152.77 3.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 124.816 1.247 . . . . 3.67 112.726 -163.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.96 111.28 1.79 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.496 -0.859 . . . . 2.84 111.64 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 p -118.76 157.24 50.58 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.173 -0.306 . . . . 3.88 110.173 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.244 0.794 0 C-N-CA 122.668 2.245 . . . . 5.2 111.911 178.876 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.016 0.436 . . . . 9.07 110.809 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -96.98 -82.6 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.808 -0.441 . . . . 6.86 109.808 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -71.24 -46.05 61.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.853 -1.165 . . . . 5.24 107.853 169.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.616 ' HE2' ' CD ' ' A' ' 46' ' ' GLN . 20.5 tptt -169.98 -47.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.853 -1.067 . . . . 2.34 110.611 173.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.704 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 94.4 mtp -22.97 116.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.858 1.348 . . . . 2.68 113.654 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -75.74 176.98 7.22 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.933 -1.485 . . . . 1.22 111.572 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.41 -48.55 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 2.47 110.814 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.605 ' O ' HG13 ' B' ' 12' ' ' ILE . 3.2 tm? -62.96 -43.92 97.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.086 -0.961 . . . . 1.81 109.083 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.704 ' OE1' ' HA ' ' B' ' 5' ' ' MET . 7.4 tt0 -63.14 -50.22 71.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.229 -1.351 . . . . 2.28 111.644 -175.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.432 ' HD2' ' HE1' ' B' ' 5' ' ' MET . 18.1 mmm180 -59.88 -35.11 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 3.54 111.078 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 15' ' ' ILE . 11.5 m120 -67.16 -37.56 83.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.56 . . . . 1.7 110.81 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 8' ' ' LEU . 28.6 mt -62.4 -49.53 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.33 109.973 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.53 -42.55 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 1.95 110.293 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.404 HG21 HD22 ' A' ' 11' ' ' ASN . 44.3 m -65.46 -41.67 93.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.785 -0.643 . . . . 0.44 110.746 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' A' ' 15' ' ' ILE . 8.8 mt -63.42 -47.19 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.42 110.652 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 12' ' ' ILE . 96.7 mt -56.4 -52.18 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.42 111.474 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -69.65 -26.77 64.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.713 0.264 . . . . 1.76 111.713 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.761 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 79.8 m -71.06 -51.7 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.468 -0.493 . . . . 0.8 110.402 176.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.419 ' HD2' HD11 ' B' ' 32' ' ' LEU . 38.2 m-85 -59.55 -42.16 91.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.913 0.387 . . . . 3.66 110.35 174.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.525 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 8.8 t-80 -70.46 -24.59 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.935 -0.575 . . . . 2.83 111.773 -176.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.9 pt20 -73.07 -32.4 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.147 -0.686 . . . . 1.45 109.147 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.428 ' HD2' ' O ' ' B' ' 18' ' ' THR . 92.2 m-85 -79.38 -33.21 43.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 1.4 110.992 174.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' B' ' 29' ' ' PRO . 84.9 p -66.74 -41.46 87.79 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.664 0.745 . . . . 1.04 109.241 177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' B' ' 28' ' ' HIS . 4.2 p -75.81 -3.48 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.066 -0.97 . . . . 0.69 112.192 -177.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 27.6 mtpp -58.91 -29.69 67.25 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.776 0.658 . . . . 2.17 112.776 -176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.499 ' HB3' ' HG2' ' B' ' 29' ' ' PRO . 25.1 tp -89.61 12.75 15.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 2.04 111.061 -176.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.73 -96.68 0.23 Allowed Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.365 -0.694 . . . . 1.43 111.365 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.68 ' N ' ' HD3' ' B' ' 29' ' ' PRO . 77.2 m-70 -131.27 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 113.309 0.855 . . . . 3.7 113.309 171.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' N ' ' B' ' 28' ' ' HIS . 86.4 Cg_exo -56.46 166.15 3.78 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.484 2.122 . . . . 2.64 115.447 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.41 8.94 10.84 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 112.547 -2.115 . . . . 2.56 108.284 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -127.79 149.4 50.28 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.15 -1.386 . . . . 1.4 109.788 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.419 HD11 ' HD2' ' B' ' 19' ' ' PHE . 76.1 mt -91.6 118.54 30.71 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.346 -0.983 . . . . 0.73 108.346 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' OE2' ' B' ' 36' ' ' GLU . 1.7 m-20 -85.37 168.73 14.37 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.501 -0.925 . . . . 2.37 108.501 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 29.8 tt0 -51.0 -40.25 57.69 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.528 0.566 . . . . 1.42 112.528 -172.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.51 38.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.813 -0.708 . . . . 0.44 111.934 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' B' ' 33' ' ' ASN . 5.0 mp0 -66.01 -41.09 91.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.131 -0.534 . . . . 2.01 110.682 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.26 -47.26 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 1.47 110.944 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 94.3 mttt -54.08 -48.19 70.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 1.39 110.597 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 36.9 tt0 -64.69 -46.73 81.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.845 -0.616 . . . . 1.75 110.818 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 1.43 109.921 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 49.9 t -55.86 -37.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.4 110.93 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 79.7 mtt180 -70.42 -29.98 66.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.338 0.866 . . . . 3.25 113.338 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.77 -42.05 4.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.471 1.286 . . . . 2.33 114.471 -173.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 2.0 p30 -106.75 -25.42 11.74 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.538 1.063 . . . . 1.87 113.051 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 96.1 mt -98.13 1.8 47.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 0.44 110.384 174.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.592 ' CD ' ' HE2' ' A' ' 4' ' ' LYS . 15.0 pt20 -53.15 -21.28 4.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 113.305 0.854 . . . . 1.46 113.305 -173.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 9' ' ' GLU . 26.1 t-20 -95.44 -39.19 10.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 2.14 109.913 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.63 -35.75 65.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.449 0.643 . . . . 1.92 110.544 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 86' ' ' LEU . 87.7 mt -106.9 26.61 9.87 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.426 -0.806 . . . . 0.61 109.578 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 39.1 ttmt -46.05 -59.69 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.705 -1.134 . . . . 2.15 112.848 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -69.04 -30.73 69.15 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.13 -0.628 . . . . 1.25 110.271 -177.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HG3' HG11 ' B' ' 58' ' ' VAL . 16.3 mp0 -65.34 -37.84 88.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 2.13 111.535 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' B' ' 46' ' ' GLN . 21.0 p30 -72.5 -14.93 61.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.965 0.412 . . . . 1.7 111.319 -170.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.35 -8.74 59.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.027 -0.533 . . . . 3.34 110.523 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -122.87 146.01 47.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.502 -0.555 . . . . 1.92 109.502 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 47.6 mt-10 -88.27 -39.9 14.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.549 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' B' ' 60' ' ' GLU . 27.7 mtpp -63.6 -32.55 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 2.5 111.389 -177.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.476 HG11 ' HG3' ' B' ' 52' ' ' GLU . 43.9 t -65.37 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.957 -0.565 . . . . 0.66 110.357 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.481 HD12 HG11 ' B' ' 41' ' ' VAL . 19.6 mm -69.36 -34.91 64.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 48.4 mt-10 -59.78 -36.29 76.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.268 -0.424 . . . . 1.85 110.974 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -68.31 -48.92 63.64 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.618 -0.264 . . . . 1.87 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.13 -33.83 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.982 0.896 . . . . 1.18 109.545 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 11.2 tpt -60.3 -39.71 87.9 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.241 -1.8 . . . . 1.05 111.954 176.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.563 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 8.4 tm-20 -115.38 -27.79 7.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 114.285 -2.966 . . . . 2.36 109.646 -169.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.5 -34.11 64.32 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.004 -0.278 . . . . 1.93 110.495 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.66 -11.41 37.08 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.529 0.566 . . . . 1.26 112.529 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.563 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 16.0 t0 -63.92 94.63 0.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.48 1.133 . . . . 1.4 111.799 -171.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.83 -45.69 40.97 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 112.819 -1.991 . . . . 1.98 113.126 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -96.54 -0.29 49.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.579 -0.282 . . . . 2.25 111.265 -171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.88 25.49 6.78 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.711 0.632 . . . . 1.14 110.423 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.42 19.93 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 1.95 109.315 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.491 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.65 47.93 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.034 . . . . 1.64 110.168 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -143.14 140.2 30.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.962 -1.017 . . . . 1.59 110.296 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 67' ' ' ASP . 32.3 mt -108.84 118.68 37.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.447 -0.342 . . . . 0.7 110.294 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.605 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 48.2 t -69.32 158.1 35.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.696 -0.853 . . . . 1.41 108.696 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.797 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 31.9 p90 -52.96 -39.2 62.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.019 0.438 . . . . 3.06 111.322 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.603 ' O ' HG22 ' B' ' 80' ' ' ILE . 11.5 mt-10 -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 2.04 111.164 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' B' ' 75' ' ' SER . 3.8 mp0 -85.97 -37.71 18.72 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 112.242 0.46 . . . . 3.18 112.242 -175.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.797 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -73.02 -25.96 61.14 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.35 -0.94 . . . . 3.12 110.003 176.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.8 tp -67.38 -41.21 86.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.378 -0.601 . . . . 2.0 109.378 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 82.5 mmm -57.5 -31.36 65.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.489 -0.323 . . . . 2.01 111.422 171.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.7 tm? -64.44 -36.83 85.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.856 -0.794 . . . . 1.38 108.856 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.503 ' HE2' ' HA ' ' B' ' 83' ' ' MET . 23.8 mmt -62.21 -34.55 76.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.91 110.027 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.78 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -71.07 -37.51 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.35 110.739 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' B' ' 81' ' ' MET . 18.6 mtp180 -62.16 -40.26 95.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.289 -0.634 . . . . 1.67 109.289 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 57.1 mt -70.41 -25.11 63.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.601 -0.727 . . . . 1.68 110.155 174.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 54.4 m -69.73 -35.19 74.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.48 110.173 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.559 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 89.7 t90 -65.08 -36.89 85.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.78 -0.822 . . . . 3.49 108.78 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.83 -25.18 62.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.67 -0.695 . . . . 1.18 110.674 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -79.51 -22.06 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 1.74 110.49 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.95 -32.25 71.7 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.021 -1.103 . . . . 3.33 108.021 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.3 mm-40 -73.31 -26.42 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.719 -1.128 . . . . 3.29 109.856 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.555 ' HG3' ' OE2' ' B' ' 111' ' ' GLU . 5.9 tmmm? -81.03 -21.07 40.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.791 -0.64 . . . . 5.62 109.639 176.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 17.0 tpt -63.09 -32.64 74.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 5.55 109.444 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -102.66 71.16 1.16 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.51 -0.768 . . . . 5.11 109.042 171.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 38.1 tt0 -51.95 124.78 13.54 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.99 -1.005 . . . . 5.97 110.581 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -59.08 -13.96 22.61 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 114.899 -1.046 . . . . 7.19 112.087 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.517 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 38.5 t70 -70.71 -22.32 62.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 120.881 0.372 . . . . 9.86 111.504 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.33 -25.57 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 8.93 110.789 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.06 80.05 0.11 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.812 -0.915 . . . . 6.77 110.812 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.35 137.06 20.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.701 2.267 . . . . 7.97 114.138 -173.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.54 -40.38 2.97 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 108.383 -1.887 . . . . 10.54 108.383 163.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -142.48 144.99 33.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.898 -1.519 . . . . 12.94 106.898 167.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.2 105.07 17.07 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.035 -0.666 . . . . 8.26 110.404 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -99.2 161.51 13.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 8.24 108.979 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.15 118.32 54.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 6.24 109.213 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' B' ' 111' ' ' GLU . 93.9 Cg_exo -48.32 139.29 22.32 Favored 'Trans proline' 0 C--O 1.21 -0.908 0 C-N-CA 123.864 3.043 . . . . 2.91 116.328 -171.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' B' ' 93' ' ' LYS . . . 51.06 -39.56 0.01 OUTLIER Glycine 0 C--N 1.301 -1.388 0 N-CA-C 120.864 3.106 . . . . 3.17 120.864 170.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.35 -58.66 0.49 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 121.506 2.653 . . . . 2.15 109.39 155.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.54 0.41 3.82 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 111.805 -2.452 . . . . 2.79 110.095 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' B' ' 107' ' ' PRO . 37.9 mt-10 -53.07 152.84 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.863 1.265 . . . . 3.68 112.703 -163.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.98 111.2 1.77 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.561 -0.828 . . . . 2.85 111.652 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 32.2 p -118.81 157.03 51.22 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 110.152 -0.314 . . . . 3.89 110.152 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 122.662 2.241 . . . . 5.21 111.891 178.632 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 121.151 0.5 . . . . 9.06 110.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -96.36 -67.08 0.87 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 6.86 109.945 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.575 ' HA ' ' OD1' ' B' ' 47' ' ' ASN . 31.3 m 54.53 78.91 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.755 -0.657 . . . . 5.23 111.879 175.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -141.08 106.15 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.34 110.774 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.509 ' HB2' ' HB3' ' B' ' 111' ' ' GLU . 3.7 ttt -70.7 119.69 15.22 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.367 -0.605 . . . . 2.68 109.367 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' B' ' 44' ' ' ASP . 10.2 t -76.71 174.01 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.207 -0.294 . . . . 1.22 110.207 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.19 -47.28 83.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.173 0.511 . . . . 2.47 110.676 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.838 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -69.33 -38.67 78.28 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.289 -0.869 . . . . 1.81 109.252 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.598 ' HG3' ' HB2' ' B' ' 48' ' ' PHE . 25.5 tt0 -59.93 -48.13 82.97 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.737 -0.665 . . . . 2.29 110.34 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -68.77 -35.33 76.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.668 -0.696 . . . . 3.54 111.204 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.838 ' ND2' ' HA ' ' A' ' 8' ' ' LEU . 14.0 p30 -67.25 -35.7 80.08 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.829 -0.349 . . . . 1.71 110.177 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 86.5 mt -64.94 -46.12 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.32 110.11 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.97 -33.59 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 1.95 111.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.8 m -57.92 -40.29 80.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.644 0.735 . . . . 0.44 109.278 174.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' OD1' ' B' ' 11' ' ' ASN . 9.5 mt -64.72 -52.07 59.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.044 -0.98 . . . . 0.42 110.799 174.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' B' ' 87' ' ' THR . 79.5 mt -58.65 -41.32 81.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.371 -0.831 . . . . 0.42 111.267 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.77 -40.77 98.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.871 0.367 . . . . 1.76 110.959 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.8 m -70.63 -50.3 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.8 110.526 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.531 ' CE1' ' HE2' ' A' ' 79' ' ' PHE . 11.4 m-30 -55.36 -41.61 72.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.558 0.694 . . . . 3.66 109.338 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 18.5 t-80 -55.87 -41.63 74.67 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.679 -1.146 . . . . 2.82 112.34 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 18' ' ' THR . 22.4 pt20 -71.19 -32.48 68.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.083 -0.647 . . . . 1.45 110.645 -172.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 40' ' ' LEU . 90.9 m-85 -78.86 -32.87 46.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.642 -0.423 . . . . 1.4 110.889 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 16.6 p -79.63 -34.93 40.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.143 0.497 . . . . 1.04 111.371 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.57 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.9 p -68.27 -3.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.756 -0.656 . . . . 0.69 111.265 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.91 -30.81 71.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.647 -0.501 . . . . 2.17 109.647 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 33' ' ' ASN . 75.6 mt -89.43 13.62 13.26 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.064 0.764 . . . . 2.04 113.064 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -118.72 5.66 Favored Glycine 0 N--CA 1.46 0.247 0 C-N-CA 120.5 -0.857 . . . . 1.43 111.568 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -58.05 106.02 0.63 Allowed Pre-proline 0 N--CA 1.465 0.307 0 N-CA-C 107.037 -1.468 . . . . 3.7 107.037 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 Cg_endo -77.99 48.29 2.61 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 CA-C-O 117.123 -1.282 . . . . 2.64 114.992 -152.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -71.87 4.27 3.5 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 122.749 2.522 . . . . 2.56 113.498 -153.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -154.98 158.16 38.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.952 0.406 . . . . 1.4 111.88 -170.042 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.65 119.77 40.36 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.013 -1.106 . . . . 0.73 108.013 159.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 33.6 m-20 -79.64 170.76 16.08 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.577 -0.849 . . . . 2.37 110.239 -177.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' N ' ' HE3' ' A' ' 63' ' ' MET . 50.3 tt0 -51.42 -40.56 59.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 1.42 111.568 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.81 -42.09 39.73 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.237 -0.745 . . . . 0.44 111.237 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 3.8 mp0 -64.54 -39.38 93.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.112 -0.544 . . . . 2.0 110.289 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 71.8 t80 -57.78 -53.36 59.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.47 110.623 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.06 97.8 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.821 -0.627 . . . . 1.38 110.669 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 5.9 tp10 -60.82 -45.47 94.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.264 -0.425 . . . . 1.74 110.936 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 22' ' ' TYR . 3.0 tm? -58.81 -53.76 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.43 -0.581 . . . . 1.43 109.43 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.614 HG13 HD12 ' A' ' 49' ' ' LEU . 76.8 t -58.66 -38.48 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.677 -0.692 . . . . 0.4 110.91 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 31.1 ttt180 -65.21 -32.69 74.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.143 -0.935 . . . . 3.25 112.919 -173.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HZ2' ' HG3' ' A' ' 39' ' ' GLU . 10.9 mtmm -123.9 -27.04 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.968 -0.693 . . . . 2.33 112.707 -171.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' B' ' 6' ' ' SER . 5.0 m-20 -99.43 -34.26 10.35 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.437 0.637 . . . . 1.88 110.043 -174.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 84.9 mt -100.93 5.8 43.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.962 -1.017 . . . . 0.44 110.796 174.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 10.6 pt20 -49.8 -23.87 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.613 ' ND2' ' HB2' ' A' ' 111' ' ' GLU . 6.5 t30 -103.29 -38.02 7.41 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.411 -0.515 . . . . 2.14 110.492 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.633 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 4.4 t80 -65.49 -36.16 83.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.914 0.864 . . . . 1.91 109.323 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 41' ' ' VAL . 39.7 mt -110.93 23.75 13.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.888 -1.051 . . . . 0.61 109.781 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' A' ' 46' ' ' GLN . 2.0 tpmt? -45.2 -56.27 4.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.901 -0.591 . . . . 2.16 111.712 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HD2' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.63 -33.2 73.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.004 -0.544 . . . . 1.25 111.633 -178.648 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.624 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 16.2 mt-10 -75.72 -32.76 60.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.413 -0.358 . . . . 2.13 110.969 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.599 ' ND2' ' HA ' ' A' ' 46' ' ' GLN . 5.8 m-20 -66.61 -18.62 65.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.7 111.156 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.36 -1.55 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.348 0.594 . . . . 3.34 110.33 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -122.14 147.08 46.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 1.92 109.581 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.9 tp10 -87.42 -51.6 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.08 0.467 . . . . 2.46 110.098 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.25 -30.16 71.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.422 -0.808 . . . . 2.5 112.597 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 52' ' ' GLU . 38.6 t -64.17 -42.66 96.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.431 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 HG11 ' A' ' 41' ' ' VAL . 20.5 mm -70.56 -35.63 62.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 1.05 109.905 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 10.4 mm-40 -61.03 -37.83 83.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.875 -0.602 . . . . 1.86 109.981 176.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -67.05 -49.09 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.283 -0.871 . . . . 1.87 110.646 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 48.6 mt -63.55 -34.5 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.246 0.546 . . . . 1.18 110.143 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.627 ' HE1' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -58.76 -52.45 65.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.742 -1.117 . . . . 1.05 110.764 177.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.52 -29.1 10.89 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 114.947 -2.701 . . . . 2.37 110.003 -165.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.0 -38.23 72.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.483 -0.487 . . . . 1.93 110.268 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 10.7 mp -72.23 -34.41 68.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.599 0.238 . . . . 1.26 111.571 174.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -65.85 92.29 0.16 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.686 0.755 . . . . 1.39 110.581 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.9 m -60.45 -25.22 65.84 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.64 -1.163 . . . . 1.98 111.564 175.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.86 -4.14 56.81 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.749 -0.38 . . . . 2.25 110.188 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.69 34.89 5.51 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.602 0.964 . . . . 1.15 113.602 169.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -116.53 14.82 15.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.382 0.61 . . . . 1.95 110.414 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.802 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 65.88 37.73 5.37 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.117 -0.947 . . . . 1.64 109.763 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 46.8 mt-30 -144.16 140.41 29.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.903 -1.498 . . . . 1.59 108.373 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 63.2 mt -117.69 116.01 26.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.479 -0.488 . . . . 0.7 110.92 -174.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -69.17 151.64 46.1 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.449 -1.685 . . . . 1.42 106.449 171.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.743 ' O ' HG23 ' A' ' 80' ' ' ILE . 23.0 p90 -48.9 -40.79 31.24 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.81 -0.356 . . . . 3.07 111.671 -175.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp0 -58.95 -36.36 74.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 2.03 111.621 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.67 -38.74 80.6 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.925 0.869 . . . . 3.18 109.66 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 24.0 t80 -76.76 -40.98 46.59 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.498 -0.774 . . . . 3.12 111.589 -173.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -66.55 -30.82 51.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 119.55 -0.86 . . . . 2.0 109.689 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.596 ' H ' HD13 ' A' ' 80' ' ' ILE . 80.6 mtp -54.07 -36.99 63.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.982 -0.554 . . . . 2.01 111.431 167.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 45.2 tp -58.88 -38.92 79.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.108 0.48 . . . . 1.38 109.933 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -62.7 -20.95 65.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.91 111.073 176.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.741 ' HB2' HD12 ' B' ' 80' ' ' ILE . . . -75.99 -37.72 58.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.26 0.552 . . . . 0.35 110.152 174.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 85' ' ' ARG . 10.7 mtp180 -62.76 -38.72 91.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.29 -0.868 . . . . 1.67 108.771 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD22 ' CD1' ' A' ' 48' ' ' PHE . 35.5 mt -70.74 -30.46 66.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.869 -1.06 . . . . 1.68 109.878 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 16' ' ' ILE . 38.0 m -64.21 -38.15 90.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.483 -0.487 . . . . 0.48 109.866 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' O ' ' HB3' ' A' ' 91' ' ' HIS . 84.7 t90 -66.23 -36.07 82.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 3.49 110.678 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -47.57 65.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.826 0.346 . . . . 1.18 111.573 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' HD13 ' B' ' 16' ' ' ILE . 20.6 t -72.74 -23.85 60.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.972 0.415 . . . . 1.74 110.091 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.4 t-80 -58.11 -37.58 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.48 -0.563 . . . . 3.33 109.48 172.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 27.7 mm-40 -83.01 -25.23 32.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.206 -0.906 . . . . 3.3 110.793 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' A' ' 105' ' ' HIS . 16.8 ttpt -81.94 -20.52 38.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.274 0.559 . . . . 5.63 110.328 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 35.0 ttm -109.31 7.57 25.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.956 -0.565 . . . . 5.55 111.426 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -104.87 110.52 22.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.865 0.364 . . . . 5.1 111.51 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.98 160.02 21.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.926 -1.509 . . . . 5.97 106.926 163.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 100' ' ' GLY . . . -56.15 -57.72 17.76 Favored Glycine 0 CA--C 1.507 -0.433 0 C-N-CA 119.382 -1.389 . . . . 7.17 112.409 -155.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -126.3 -43.83 1.76 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 118.815 1.307 . . . . 9.86 110.854 144.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.38 3.57 9.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 114.257 -1.338 . . . . 8.93 109.158 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -179.81 137.44 3.07 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 114.558 -1.201 . . . . 6.76 110.275 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.54 133.86 38.83 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 121.747 1.631 . . . . 7.95 113.939 -170.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.05 -9.78 23.62 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.1 -2.0 . . . . 10.53 108.1 165.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -140.43 131.04 25.55 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 105.775 -1.935 . . . . 12.94 105.775 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -97.1 158.66 15.33 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.621 -0.432 . . . . 8.25 110.351 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.525 ' HB2' ' HG2' ' A' ' 93' ' ' LYS . 7.7 p-80 -97.64 158.95 15.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 8.24 110.394 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 107' ' ' PRO . 56.1 tptt -129.66 111.52 17.58 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.041 -0.527 . . . . 6.23 112.356 -170.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' A' ' 111' ' ' GLU . 90.4 Cg_exo -50.48 155.78 4.8 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.621 2.214 . . . . 2.91 110.558 161.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.523 ' H ' ' HA ' ' A' ' 111' ' ' GLU . . . 92.56 -6.62 77.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.873 -0.68 . . . . 3.18 112.116 -175.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.633 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 5.6 tp -114.83 -40.77 3.47 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.095 -1.446 . . . . 2.15 107.095 160.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.482 ' HA3' ' HD3' ' A' ' 93' ' ' LYS . . . -123.83 42.51 1.56 Allowed Glycine 0 C--N 1.304 -1.225 0 CA-C-N 112.408 -2.178 . . . . 2.79 110.238 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.613 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -45.07 120.68 2.49 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.989 1.376 . . . . 3.67 111.74 -151.276 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 107' ' ' PRO . . . -136.29 172.47 22.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 112.153 -2.294 . . . . 2.84 112.899 -156.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.1 m -110.14 114.91 55.4 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.621 -0.789 . . . . 3.88 110.551 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.811 2.341 . . . . 5.2 111.738 176.535 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.052 0.453 . . . . 9.07 110.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -97.19 -66.15 0.92 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.915 -0.584 . . . . 6.86 110.042 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.571 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 38.1 m 53.8 79.22 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 5.24 111.839 175.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -141.15 106.15 4.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 2.34 110.908 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.521 ' HB2' ' HB3' ' A' ' 111' ' ' GLU . 3.7 ttt -70.78 119.63 15.2 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.415 -0.587 . . . . 2.68 109.415 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 44' ' ' ASP . 13.8 t -76.49 174.0 10.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.259 -0.274 . . . . 1.22 110.259 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -58.18 -47.29 83.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.198 0.523 . . . . 2.47 110.592 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.835 ' HA ' ' ND2' ' B' ' 11' ' ' ASN . 0.7 OUTLIER -69.52 -38.72 77.67 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.194 -0.912 . . . . 1.81 109.19 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.603 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 25.3 tt0 -59.72 -48.21 82.58 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.751 -0.659 . . . . 2.28 110.449 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.71 -35.49 77.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.77 . . . . 3.54 111.234 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.835 ' ND2' ' HA ' ' B' ' 8' ' ' LEU . 13.9 p30 -67.01 -35.81 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.115 -0.328 . . . . 1.7 110.115 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 8' ' ' LEU . 86.4 mt -64.87 -46.25 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.396 -0.365 . . . . 0.33 110.122 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.0 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 1.95 111.19 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.2 m -57.95 -40.23 80.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.675 0.75 . . . . 0.44 109.298 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.56 HG12 ' OD1' ' A' ' 11' ' ' ASN . 9.5 mt -64.88 -52.02 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.962 -1.017 . . . . 0.42 110.79 175.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 87' ' ' THR . 79.3 mt -58.73 -41.17 81.7 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 115.355 -0.838 . . . . 0.42 111.321 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.62 -41.04 98.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 1.76 110.939 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 8' ' ' LEU . 21.9 m -70.35 -50.3 40.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 0.8 110.578 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HE2' ' B' ' 79' ' ' PHE . 11.5 m-30 -55.45 -41.5 72.98 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.539 0.685 . . . . 3.66 109.383 176.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.439 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 18.0 t-80 -55.92 -41.63 74.85 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.622 -1.172 . . . . 2.83 112.336 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 18' ' ' THR . 22.6 pt20 -71.26 -32.43 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.204 -0.598 . . . . 1.45 110.634 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.516 ' CE1' HD23 ' B' ' 40' ' ' LEU . 90.8 m-85 -78.87 -32.86 46.1 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.68 -0.408 . . . . 1.4 110.987 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.635 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 17.1 p -79.76 -34.63 39.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.11 0.481 . . . . 1.04 111.373 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -68.56 -3.97 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.749 -0.659 . . . . 0.69 111.292 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.06 -30.68 71.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.684 -0.488 . . . . 2.17 109.684 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.418 HD11 HD21 ' B' ' 33' ' ' ASN . 75.2 mt -89.41 13.35 13.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.986 0.736 . . . . 2.04 112.986 174.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.09 -118.64 5.69 Favored Glycine 0 N--CA 1.461 0.349 0 C-N-CA 120.482 -0.866 . . . . 1.43 111.59 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -58.21 105.79 0.6 Allowed Pre-proline 0 N--CA 1.464 0.254 0 N-CA-C 106.985 -1.487 . . . . 3.7 106.985 166.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.635 ' O ' ' HB2' ' B' ' 23' ' ' SER . 41.2 Cg_endo -77.86 48.02 2.51 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-O 117.131 -1.279 . . . . 2.64 114.981 -152.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.06 4.9 3.06 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 122.718 2.508 . . . . 2.56 113.479 -153.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 74' ' ' LEU . 0.9 OUTLIER -155.26 158.17 38.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.034 0.445 . . . . 1.4 111.922 -170.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -107.7 119.7 40.17 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.038 -1.097 . . . . 0.73 108.038 159.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 34.2 m-20 -79.64 170.73 16.12 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.486 -0.885 . . . . 2.37 110.247 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.408 ' N ' ' HE3' ' B' ' 63' ' ' MET . 50.0 tt0 -51.26 -40.76 59.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.895 0.379 . . . . 1.42 111.58 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.67 40.01 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.184 -0.766 . . . . 0.44 111.184 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.4 mp0 -64.82 -39.29 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.153 -0.524 . . . . 2.01 110.289 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.43 ' CD2' ' HE1' ' B' ' 79' ' ' PHE . 71.2 t80 -57.95 -53.21 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 1.47 110.634 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.04 97.75 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.892 -0.595 . . . . 1.39 110.793 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' HZ2' ' B' ' 43' ' ' LYS . 5.9 tp10 -60.97 -45.44 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 1.75 110.98 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.516 HD23 ' CE1' ' B' ' 22' ' ' TYR . 3.0 tm? -58.73 -53.75 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 178.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.628 HG13 HD12 ' B' ' 49' ' ' LEU . 77.1 t -58.69 -38.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.4 110.86 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 31.3 ttt180 -65.39 -32.53 74.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.154 -0.93 . . . . 3.25 112.932 -173.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.517 ' HZ2' ' HG3' ' B' ' 39' ' ' GLU . 10.9 mtmm -124.0 -26.97 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.99 -0.684 . . . . 2.33 112.844 -171.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 6' ' ' SER . 5.2 m-20 -99.38 -34.38 10.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.39 0.614 . . . . 1.87 110.149 -174.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 85.1 mt -100.92 5.8 43.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.44 110.786 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' B' ' 50' ' ' LYS . 10.5 pt20 -49.81 -24.02 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' HB2' ' B' ' 111' ' ' GLU . 6.4 t30 -103.41 -37.45 7.61 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.365 -0.534 . . . . 2.14 110.498 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.618 ' HA ' ' O ' ' B' ' 109' ' ' LEU . 4.6 t80 -65.85 -36.59 83.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.851 0.834 . . . . 1.92 109.168 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.628 HD12 HG13 ' B' ' 41' ' ' VAL . 40.3 mt -110.61 23.87 13.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.865 -1.061 . . . . 0.61 109.886 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' B' ' 46' ' ' GLN . 2.0 tpmt? -45.09 -56.37 4.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.873 -0.603 . . . . 2.15 111.679 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.63 ' HD2' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -61.77 -32.91 73.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 1.25 111.707 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.63 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 15.8 mt-10 -75.99 -32.63 59.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.916 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.59 ' ND2' ' HA ' ' B' ' 46' ' ' GLN . 5.9 m-20 -66.47 -19.23 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 1.7 110.965 -178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.04 -1.12 54.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.246 0.546 . . . . 3.34 110.373 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.46 147.2 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.979 -0.555 . . . . 1.92 109.577 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 tp10 -87.5 -51.57 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 2.46 110.188 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.29 -30.35 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 2.5 112.541 -171.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' B' ' 52' ' ' GLU . 38.6 t -64.02 -42.69 96.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.207 -0.451 . . . . 0.66 110.46 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.457 HD12 HG11 ' B' ' 41' ' ' VAL . 20.6 mm -70.75 -35.65 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.05 109.918 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 10.1 mm-40 -60.86 -37.79 83.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 1.85 110.052 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -66.98 -49.26 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 1.87 110.533 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 48.1 mt -63.56 -34.33 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 1.18 110.197 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.538 ' HE1' ' HG ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -58.9 -52.57 65.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.785 -1.098 . . . . 1.05 110.781 177.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.38 -29.08 10.97 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 114.92 -2.712 . . . . 2.36 109.951 -165.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 -38.32 73.01 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.523 -0.471 . . . . 1.93 110.402 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 10.6 mp -72.33 -34.24 67.9 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.583 0.23 . . . . 1.26 111.537 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.79 92.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.725 0.774 . . . . 1.4 110.456 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 m -60.98 -25.07 66.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.6 -1.182 . . . . 1.98 111.531 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -91.05 -4.22 56.53 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.802 -0.359 . . . . 2.25 110.221 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.59 35.16 5.71 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.612 0.967 . . . . 1.14 113.612 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -116.71 14.7 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.408 0.623 . . . . 1.95 110.258 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.798 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.1 OUTLIER 65.91 37.84 5.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.156 -0.929 . . . . 1.64 109.783 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 47.1 mt-30 -144.07 140.49 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.961 -1.472 . . . . 1.59 108.325 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.538 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 63.3 mt -117.66 116.05 26.29 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.524 -0.471 . . . . 0.7 110.903 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 10.1 t -69.15 151.68 46.07 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.576 -1.639 . . . . 1.41 106.576 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.738 ' O ' HG23 ' B' ' 80' ' ' ILE . 22.8 p90 -48.78 -40.89 30.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.029 0.377 . . . . 3.06 111.648 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' B' ' 80' ' ' ILE . 4.1 mp0 -58.95 -36.27 74.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.916 0.388 . . . . 2.04 111.585 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.87 -38.84 79.99 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.888 0.851 . . . . 3.18 109.52 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 24.0 t80 -76.72 -41.1 46.48 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.569 -0.741 . . . . 3.12 111.607 -173.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -66.29 -30.91 51.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 119.592 -0.843 . . . . 2.0 109.701 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.603 ' H ' HD13 ' B' ' 80' ' ' ILE . 81.9 mtp -54.12 -36.93 63.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 2.01 111.577 167.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 45.0 tp -58.83 -38.98 79.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.38 109.952 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.581 ' HB2' ' O ' ' B' ' 80' ' ' ILE . 0.0 OUTLIER -62.67 -21.02 65.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.91 111.015 176.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 80' ' ' ILE . . . -75.8 -37.84 58.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.364 0.602 . . . . 0.35 110.06 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 82' ' ' LEU . 10.9 mtp180 -62.74 -38.78 91.87 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.31 -0.859 . . . . 1.67 108.79 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 48' ' ' PHE . 35.2 mt -70.67 -30.51 67.12 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.841 -1.072 . . . . 1.68 110.019 174.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 37.8 m -64.14 -38.15 90.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.445 -0.502 . . . . 0.48 109.843 175.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.522 ' O ' ' HB3' ' B' ' 91' ' ' HIS . 84.2 t90 -66.28 -36.13 82.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 3.49 110.687 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.57 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.882 -0.327 . . . . 1.18 111.531 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 16' ' ' ILE . 19.0 t -72.71 -23.81 60.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.946 0.403 . . . . 1.74 110.181 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.1 t-80 -58.15 -37.78 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.432 -0.581 . . . . 3.33 109.432 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 26.4 mm-40 -82.86 -25.36 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.099 -0.955 . . . . 3.29 110.72 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' B' ' 105' ' ' HIS . 16.8 ttpt -81.87 -20.33 39.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 5.62 110.397 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 35.0 ttm -109.37 7.2 24.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.969 -0.559 . . . . 5.55 111.483 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -104.64 110.63 23.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 5.11 111.426 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.08 160.11 21.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.918 -1.512 . . . . 5.97 106.918 163.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' B' ' 100' ' ' GLY . . . -56.21 -57.47 19.04 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 119.324 -1.417 . . . . 7.19 112.539 -155.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -126.34 -43.76 1.75 Allowed 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 118.738 1.269 . . . . 9.86 110.889 144.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.47 3.43 9.05 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.135 -1.393 . . . . 8.93 109.129 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' B' ' 97' ' ' GLY . . . -179.71 137.26 3.02 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.599 -1.182 . . . . 6.77 110.491 -174.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.44 133.76 38.69 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 121.849 1.699 . . . . 7.97 113.734 -170.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.15 -9.75 23.5 Favored Glycine 0 CA--C 1.505 -0.567 0 N-CA-C 108.044 -2.022 . . . . 10.54 108.044 165.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -140.29 131.09 25.87 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.869 -1.9 . . . . 12.94 105.869 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -96.89 158.83 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.602 -0.439 . . . . 8.26 110.407 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' HIS . . . . . 0.522 ' HB2' ' HG2' ' B' ' 93' ' ' LYS . 7.5 p-80 -97.67 158.72 15.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.006 -0.543 . . . . 8.24 110.493 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' B' ' 107' ' ' PRO . 56.1 tptt -129.45 111.76 17.89 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-O 121.167 0.508 . . . . 6.24 112.295 -170.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.46 ' HB3' ' OE1' ' B' ' 111' ' ' GLU . 90.2 Cg_exo -50.72 155.73 5.22 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.719 2.279 . . . . 2.91 110.636 161.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.526 ' H ' ' HA ' ' B' ' 111' ' ' GLU . . . 92.51 -6.55 77.76 Favored Glycine 0 C--O 1.226 -0.347 0 C-N-CA 120.914 -0.66 . . . . 3.17 112.112 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.618 ' O ' ' HA ' ' B' ' 48' ' ' PHE . 5.8 tp -114.81 -40.8 3.47 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.217 -1.401 . . . . 2.15 107.217 160.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.495 ' HA3' ' HD3' ' B' ' 93' ' ' LYS . . . -123.96 42.49 1.56 Allowed Glycine 0 C--N 1.303 -1.26 0 CA-C-N 112.323 -2.217 . . . . 2.79 110.081 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.614 ' HB2' ' ND2' ' B' ' 47' ' ' ASN . 0.4 OUTLIER -44.96 121.02 2.58 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 122.986 1.374 . . . . 3.68 111.713 -151.309 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLY . . . . . 0.42 ' H ' ' HB3' ' B' ' 107' ' ' PRO . . . -136.53 172.72 22.37 Favored Glycine 0 N--CA 1.432 -1.605 0 CA-C-N 112.174 -2.285 . . . . 2.85 112.968 -156.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 26.6 m -110.14 115.42 54.74 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 114.47 -0.865 . . . . 3.89 110.358 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.963 2.442 . . . . 5.21 111.683 175.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.648 0.261 . . . . 9.06 110.624 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 t -159.23 129.52 5.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.475 -0.329 . . . . 6.86 110.371 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p 48.26 69.51 0.54 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.398 0.679 . . . . 5.23 112.177 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 9.64 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 2.34 111.276 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtm -42.54 126.01 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 2.68 112.349 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -80.78 178.48 8.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.96 -1.018 . . . . 1.22 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.9 tp-100 -56.24 -45.09 80.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.135 -0.32 . . . . 2.47 110.135 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.8 tp -62.84 -45.51 92.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.506 . . . . 1.81 110.966 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.711 ' OE2' ' HB2' ' B' ' 48' ' ' PHE . 1.6 mm-40 -61.2 -50.64 72.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.237 0.542 . . . . 2.29 110.388 -176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 25.3 mmt180 -60.71 -37.53 82.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.265 -0.879 . . . . 3.54 110.488 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.577 ' OD1' HG13 ' B' ' 15' ' ' ILE . 7.5 t-20 -69.62 -44.44 70.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.739 -1.119 . . . . 1.71 110.717 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 8' ' ' LEU . 94.7 mt -61.13 -47.78 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 0.32 110.634 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -63.82 -32.48 74.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 1.95 111.093 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.7 m -58.4 -43.52 88.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 121.086 -0.245 . . . . 0.44 110.872 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG13 ' OD1' ' B' ' 11' ' ' ASN . 63.2 mt -64.77 -46.29 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.952 0.406 . . . . 0.42 110.438 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 76.5 mt -59.46 -40.49 81.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.42 110.671 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 73.1 m-20 -70.1 -31.37 68.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.76 112.012 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 45.2 m -69.07 -50.34 49.23 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.386 0.612 . . . . 0.8 109.57 177.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -54.31 -43.45 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.511 -0.768 . . . . 3.66 108.964 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.681 ' CE1' ' HB3' ' B' ' 96' ' ' GLU . 13.4 t-160 -55.28 -51.22 67.38 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.805 -1.089 . . . . 2.82 112.048 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.8 pt20 -66.51 -32.95 74.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.919 0.34 . . . . 1.45 111.919 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD2' HD23 ' A' ' 40' ' ' LEU . 89.3 m-85 -79.16 -33.53 43.98 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.094 -0.642 . . . . 1.4 111.059 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.625 ' OG ' ' HG ' ' A' ' 32' ' ' LEU . 18.5 m -77.57 -28.55 51.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.472 0.653 . . . . 1.04 110.75 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.5 p -74.81 -2.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.69 111.625 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 82.4 mttt -59.62 -23.91 63.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 120.552 -0.459 . . . . 2.17 110.566 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 33' ' ' ASN . 5.3 mp -87.66 -19.01 28.29 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.22 0.452 . . . . 2.04 112.22 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.42 141.66 5.19 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 110.703 -0.959 . . . . 1.43 110.703 -170.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 38.77 80.04 0.29 Allowed Pre-proline 0 N--CA 1.481 1.076 0 N-CA-C 108.085 -1.08 . . . . 3.7 108.085 -166.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 49.6 Cg_endo -74.65 40.51 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.438 0 N-CA-C 116.586 1.726 . . . . 2.64 116.586 -146.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -72.16 7.92 1.51 Allowed 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 123.5 2.864 . . . . 2.56 113.497 -149.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 41.7 p -154.48 147.65 24.78 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.058 0.543 . . . . 1.4 110.918 -166.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 ' HG ' ' OG ' ' A' ' 23' ' ' SER . 17.3 mt -105.31 121.01 42.99 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.035 -1.098 . . . . 0.73 108.035 159.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.607 HD21 HD21 ' A' ' 26' ' ' LEU . 15.6 m-80 -80.6 176.92 9.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.302 -1.359 . . . . 2.37 109.171 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.704 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 54.3 tt0 -54.78 -42.41 71.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.177 -0.465 . . . . 1.42 111.181 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.82 -40.73 51.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.831 -0.699 . . . . 0.44 112.159 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG3' ' HD2' ' A' ' 25' ' ' LYS . 1.9 mp0 -67.53 -39.39 85.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.541 -0.329 . . . . 2.0 110.709 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' A' ' 74' ' ' LEU . 54.4 t80 -65.52 -43.75 89.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 1.47 110.9 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' A' ' 34' ' ' GLN . 2.7 mptm? -53.6 -43.42 68.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.737 -0.468 . . . . 1.38 109.737 175.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.32 -45.09 85.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.363 -0.835 . . . . 1.74 111.273 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.7 tm? -59.31 -46.89 87.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.717 -0.475 . . . . 1.43 109.717 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 85.3 t -58.52 -36.39 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.4 110.965 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' HA ' ' OD1' ' A' ' 53' ' ' ASN . 12.2 mmm180 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.567 0.58 . . . . 3.25 112.567 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -103.0 -45.67 4.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.712 1.004 . . . . 2.33 113.712 -169.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -43.56 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.737 -0.785 . . . . 1.88 111.222 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 75.9 mt -80.35 3.52 20.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.259 0.552 . . . . 0.44 111.055 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 8.7 pt20 -51.62 -22.32 3.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.263 -0.88 . . . . 1.46 112.051 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.657 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 3.8 t30 -100.61 -50.65 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 2.14 110.975 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.71 ' HB2' ' OE2' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.77 -32.33 69.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.458 0.647 . . . . 1.91 109.743 -174.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 45' ' ' LEU . 71.1 mt -110.17 21.48 16.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.625 -0.716 . . . . 0.61 111.369 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.03 -41.34 34.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.876 0.695 . . . . 2.16 112.876 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -63.02 -39.47 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.481 0.658 . . . . 1.25 110.326 -178.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 29.9 tt0 -74.16 -32.7 63.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.079 -0.964 . . . . 2.13 110.232 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 42' ' ' ARG . 2.6 t30 -62.18 -21.46 65.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.872 -1.058 . . . . 1.7 111.383 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 14.7 tmtt? -82.51 -16.76 47.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.732 -0.667 . . . . 3.34 110.863 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -125.96 145.9 50.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.937 -0.394 . . . . 1.92 109.937 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 36.4 tt0 -82.04 -41.29 20.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.871 0.367 . . . . 2.46 110.497 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.69 -32.4 72.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 2.5 111.958 -171.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 6.4 t -67.86 -39.72 82.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.183 0.516 . . . . 0.66 109.702 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.89 -34.46 64.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.425 -0.807 . . . . 1.05 110.386 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' HG2' ' CE ' ' A' ' 38' ' ' LYS . 8.7 mt-10 -65.05 -34.55 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 1.86 110.433 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.61 -47.81 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.562 -0.533 . . . . 1.87 109.562 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 47.8 mm -62.67 -33.98 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.435 0.636 . . . . 1.18 110.557 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.529 ' O ' HD21 ' A' ' 74' ' ' LEU . 13.4 tpt -59.23 -49.26 78.52 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 114.594 -1.184 . . . . 1.05 111.74 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 tm-20 -107.72 -28.54 9.64 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 114.656 -2.818 . . . . 2.37 109.265 -166.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.94 -34.15 65.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.547 -0.461 . . . . 1.93 110.069 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 7.6 mp -93.54 -12.18 30.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.67 0.619 . . . . 1.26 112.67 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 21.0 t0 -62.46 84.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.292 1.044 . . . . 1.39 110.266 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -65.99 -33.9 76.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.493 -1.685 . . . . 1.98 112.129 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.31 -2.31 58.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.437 0.637 . . . . 2.25 109.591 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.37 23.92 7.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.809 -1.087 . . . . 1.15 113.667 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.1 22.87 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.191 -0.318 . . . . 1.95 111.205 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 66.32 43.31 2.75 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.629 0.728 . . . . 1.64 110.204 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -144.67 140.07 28.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.689 -1.141 . . . . 1.59 108.803 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CD ' ' A' ' 78' ' ' GLU . 16.0 mt -111.92 116.84 31.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.183 0.516 . . . . 0.7 111.227 -174.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 25.3 t -97.29 150.14 21.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.825 -1.176 . . . . 1.42 107.825 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' O ' HG23 ' A' ' 80' ' ' ILE . 17.9 t80 -45.6 -34.28 3.3 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.825 1.046 . . . . 3.07 113.825 -169.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.818 ' O ' HG12 ' A' ' 80' ' ' ILE . 2.2 mp0 -56.58 -28.21 59.75 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.954 0.883 . . . . 2.03 109.962 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.586 ' CD ' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.02 -44.58 79.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.489 0.661 . . . . 3.18 109.833 172.119 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 83' ' ' MET . 16.4 t80 -70.51 -29.08 65.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.887 -1.051 . . . . 3.12 110.308 -173.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.97 HD13 ' HB2' ' B' ' 84' ' ' ALA . 5.9 pt -64.93 -45.76 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.021 -0.733 . . . . 2.0 109.021 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.865 ' HA ' HD12 ' B' ' 80' ' ' ILE . 0.4 OUTLIER -52.46 -38.12 58.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.119 0.485 . . . . 2.01 110.206 172.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.91 -36.48 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 1.38 110.245 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 33.1 mmt -59.69 -29.85 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.91 110.27 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.971 ' HB2' HD13 ' B' ' 80' ' ' ILE . . . -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.144 0.497 . . . . 0.35 110.48 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 14.5 mtp180 -67.78 -37.2 81.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.781 -0.645 . . . . 1.67 109.618 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.441 HD21 HD21 ' A' ' 49' ' ' LEU . 80.9 mt -69.12 -28.01 66.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.752 -0.658 . . . . 1.68 109.749 172.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 28.4 m -69.84 -28.37 65.62 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.166 -0.47 . . . . 0.48 110.841 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -68.78 -37.02 79.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.605 0.717 . . . . 3.49 109.229 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 1.18 110.072 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 94' ' ' MET . 19.3 m -86.59 -2.08 58.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.983 -0.553 . . . . 1.74 110.057 175.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 55.5 t-80 -84.63 -33.05 23.38 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.183 -1.043 . . . . 3.33 108.183 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -76.47 -33.57 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.925 -1.034 . . . . 3.3 110.535 170.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 109' ' ' LEU . 26.0 mtmt -81.91 -4.61 57.0 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.792 0.329 . . . . 5.63 111.433 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.514 ' HB2' ' HA ' ' A' ' 91' ' ' HIS . 36.9 ttp -66.63 9.06 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.645 0.979 . . . . 5.55 113.645 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -67.52 105.17 1.76 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.575 0.702 . . . . 5.1 109.953 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.669 ' HB3' ' CE1' ' B' ' 20' ' ' HIS . 0.3 OUTLIER -96.13 166.05 11.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.973 -1.012 . . . . 5.97 111.58 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.4 -8.49 0.51 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 113.016 -1.902 . . . . 7.17 114.214 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.647 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 22.4 t70 -66.75 -23.76 66.13 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.044 0.45 . . . . 9.86 111.012 -173.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.5 19.31 16.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.808 0.813 . . . . 8.93 108.973 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.49 -158.56 8.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.25 -0.886 . . . . 6.76 112.191 -171.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.15 162.17 9.88 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.309 2.673 . . . . 7.95 112.018 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.4 -6.93 84.77 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 116.227 -0.442 . . . . 10.53 112.075 -171.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -138.38 132.34 31.32 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.048 -1.464 . . . . 12.94 107.048 168.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.477 ' ND1' ' HA ' ' A' ' 96' ' ' GLU . 1.9 p80 -122.11 146.77 46.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.2 0.524 . . . . 8.25 111.552 -167.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -142.78 129.13 19.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.573 -0.899 . . . . 8.24 108.573 171.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -119.09 103.85 47.14 Favored Pre-proline 0 C--N 1.318 -0.769 0 C-N-CA 120.6 -0.44 . . . . 6.23 110.224 -176.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -72.68 162.03 42.33 Favored 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.488 2.792 . . . . 2.91 111.316 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.635 ' H ' ' HB2' ' A' ' 111' ' ' GLU . . . 94.25 43.51 3.74 Favored Glycine 0 N--CA 1.429 -1.811 0 C-N-CA 118.87 -1.633 . . . . 3.18 114.905 159.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 93' ' ' LYS . 4.0 tt -87.59 -46.35 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 105.799 -1.926 . . . . 2.15 105.799 161.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 47' ' ' ASN . . . -124.38 -16.1 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 114.355 -1.293 . . . . 2.79 110.474 160.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HB2' ' H ' ' A' ' 108' ' ' GLY . 2.3 mp0 -68.31 152.21 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.007 -0.596 . . . . 3.67 111.629 -171.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.62 111.64 1.05 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.169 -0.772 . . . . 2.84 111.169 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t -124.53 144.48 46.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.034 -0.358 . . . . 3.88 110.034 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 122.854 2.369 . . . . 5.2 112.269 177.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.61 0.243 . . . . 9.07 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -158.5 129.47 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.469 -0.332 . . . . 6.86 110.504 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p 48.11 69.56 0.53 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.332 0.653 . . . . 5.24 112.192 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.98 9.87 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.9 -0.591 . . . . 2.34 111.264 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtm -42.67 126.06 3.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 2.68 112.322 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -80.77 178.42 8.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.842 -1.072 . . . . 1.22 109.58 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp-100 -56.45 -44.96 81.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.096 -0.335 . . . . 2.47 110.096 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.534 ' O ' HG13 ' B' ' 12' ' ' ILE . 22.8 tp -62.92 -45.32 93.05 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.21 -0.45 . . . . 1.81 111.018 -178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.71 ' OE2' ' HB2' ' A' ' 48' ' ' PHE . 1.6 mm-40 -61.28 -50.58 72.45 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.234 0.54 . . . . 2.28 110.484 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 25.3 mmt180 -60.68 -37.61 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 3.54 110.407 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.576 ' OD1' HG13 ' A' ' 15' ' ' ILE . 7.4 t-20 -69.55 -44.48 70.84 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.692 -1.14 . . . . 1.7 110.743 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 8' ' ' LEU . 94.1 mt -61.21 -47.69 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.662 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -63.76 -32.59 74.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.091 -0.504 . . . . 1.95 111.081 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 93.9 m -58.34 -43.49 88.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.7 0.286 . . . . 0.44 110.978 176.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.577 HG13 ' OD1' ' A' ' 11' ' ' ASN . 63.3 mt -64.91 -46.08 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.949 0.404 . . . . 0.42 110.406 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 76.0 mt -59.49 -40.64 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.561 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 73.5 m-20 -70.16 -31.29 68.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.277 -0.42 . . . . 1.76 112.032 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 38.8 m -68.89 -50.47 49.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.457 0.646 . . . . 0.8 109.645 177.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.23 -43.38 70.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.418 -0.81 . . . . 3.66 109.035 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.669 ' CE1' ' HB3' ' A' ' 96' ' ' GLU . 13.4 t-160 -55.47 -51.26 67.53 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.722 -1.126 . . . . 2.83 112.039 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.8 pt20 -66.41 -32.79 74.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.918 0.34 . . . . 1.45 111.918 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 40' ' ' LEU . 89.3 m-85 -79.28 -33.48 43.35 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.116 -0.634 . . . . 1.4 111.081 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.619 ' OG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 m -77.72 -28.46 50.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.513 0.673 . . . . 1.04 110.776 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.648 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -75.0 -2.35 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.69 111.658 -175.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.573 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 82.2 mttt -59.76 -24.18 63.85 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.655 -0.418 . . . . 2.17 110.468 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 33' ' ' ASN . 5.3 mp -87.56 -19.23 28.13 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.237 0.458 . . . . 2.04 112.237 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.68 141.69 5.37 Favored Glycine 0 N--CA 1.461 0.361 0 CA-C-O 118.822 -0.988 . . . . 1.43 110.735 -170.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 38.75 79.87 0.3 Allowed Pre-proline 0 N--CA 1.479 0.99 0 N-CA-C 108.071 -1.085 . . . . 3.7 108.071 -166.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.648 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 50.3 Cg_endo -74.58 40.53 0.63 Allowed 'Trans proline' 0 CA--C 1.515 -0.439 0 N-CA-C 116.562 1.716 . . . . 2.64 116.562 -145.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -72.11 7.87 1.51 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 123.515 2.871 . . . . 2.56 113.46 -149.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' PRO . 43.1 p -154.42 147.49 24.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.146 0.579 . . . . 1.4 111.008 -165.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.619 ' HG ' ' OG ' ' B' ' 23' ' ' SER . 17.3 mt -105.3 121.03 43.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.97 -1.122 . . . . 0.73 107.97 159.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.613 HD21 HD21 ' B' ' 26' ' ' LEU . 14.3 m-80 -80.62 176.92 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.373 -1.331 . . . . 2.37 109.088 175.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.708 ' O ' ' HD3' ' B' ' 38' ' ' LYS . 54.9 tt0 -55.0 -42.32 72.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.147 -0.479 . . . . 1.42 111.072 -174.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.78 -40.83 51.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.928 -0.653 . . . . 0.44 112.17 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.573 ' HG3' ' HD2' ' B' ' 25' ' ' LYS . 2.0 mp0 -67.53 -39.39 85.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.323 . . . . 2.01 110.733 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' B' ' 74' ' ' LEU . 54.2 t80 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.47 110.933 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.708 ' HD3' ' O ' ' B' ' 34' ' ' GLN . 2.7 mptm? -53.69 -43.24 68.76 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.781 -0.452 . . . . 1.39 109.781 175.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.47 -44.84 85.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.4 -0.818 . . . . 1.75 111.399 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.7 tm? -59.59 -46.77 87.95 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.615 -0.513 . . . . 1.43 109.615 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 84.6 t -58.61 -36.48 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.4 110.873 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.561 ' HA ' ' OD1' ' B' ' 53' ' ' ASN . 12.1 mmm180 -74.64 -31.33 61.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 112.537 0.569 . . . . 3.25 112.537 -173.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.78 -45.68 4.93 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.66 0.985 . . . . 2.33 113.66 -169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.61 -43.42 6.84 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.714 -0.795 . . . . 1.87 111.29 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.618 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 75.8 mt -80.41 3.51 21.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.696 0.623 . . . . 0.44 111.05 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 8.8 pt20 -51.53 -22.41 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.302 -0.863 . . . . 1.46 111.993 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.667 ' O ' ' HA3' ' B' ' 110' ' ' GLY . 3.8 t30 -100.61 -50.62 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 2.14 110.978 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.711 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -70.74 -32.2 69.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.489 0.661 . . . . 1.92 109.812 -174.499 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' B' ' 45' ' ' LEU . 70.1 mt -110.33 21.47 16.66 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.578 -0.737 . . . . 0.61 111.389 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.13 -41.07 34.92 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.843 0.683 . . . . 2.15 112.843 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -63.04 -39.93 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.637 . . . . 1.25 110.279 -179.179 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.462 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 30.5 tt0 -73.95 -32.39 63.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.168 -0.923 . . . . 2.13 110.19 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.561 ' OD1' ' HA ' ' B' ' 42' ' ' ARG . 2.6 t30 -62.24 -21.69 65.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.92 -1.036 . . . . 1.7 111.437 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 54' ' ' LYS . 14.8 tmtt? -82.33 -17.18 46.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 3.34 110.784 -173.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.54 146.15 49.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.879 -0.415 . . . . 1.92 109.879 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 36.6 tt0 -82.37 -41.43 19.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.846 0.355 . . . . 2.46 110.469 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.66 -32.35 72.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.671 . . . . 2.5 111.95 -171.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 6.2 t -67.86 -39.64 82.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.256 0.55 . . . . 0.66 109.729 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.04 -34.3 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 1.05 110.384 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.517 ' HG2' ' CE ' ' B' ' 38' ' ' LYS . 8.4 mt-10 -65.11 -34.74 79.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 1.85 110.483 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.45 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.617 -0.512 . . . . 1.87 109.617 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 47.7 mm -62.74 -33.8 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.648 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.531 ' O ' HD21 ' B' ' 74' ' ' LEU . 13.4 tpt -59.42 -49.28 78.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.612 -1.177 . . . . 1.05 111.663 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 6.4 tm-20 -107.63 -28.64 9.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 114.71 -2.796 . . . . 2.36 109.387 -166.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.09 -33.87 65.48 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.628 -0.429 . . . . 1.93 110.13 170.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.525 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 7.6 mp -93.58 -12.14 30.21 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.747 0.647 . . . . 1.26 112.747 175.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.488 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.3 t0 -62.5 84.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 122.188 0.994 . . . . 1.4 110.449 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.8 t -65.6 -33.85 76.86 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.65 -1.614 . . . . 1.98 112.105 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -88.35 -2.29 58.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.453 0.644 . . . . 2.25 109.664 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.49 24.01 8.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.65 -1.159 . . . . 1.14 113.605 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.19 22.93 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.086 -0.245 . . . . 1.95 111.206 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 66.23 43.32 2.83 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.628 0.727 . . . . 1.64 110.298 -179.628 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.74 140.12 28.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.631 -1.168 . . . . 1.59 108.797 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.581 ' HB3' ' CD ' ' B' ' 78' ' ' GLU . 16.1 mt -111.87 116.99 31.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.23 0.538 . . . . 0.7 111.327 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' B' ' 78' ' ' GLU . 25.4 t -97.43 150.06 21.45 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.911 -1.144 . . . . 1.41 107.911 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.586 ' O ' HG23 ' B' ' 80' ' ' ILE . 17.7 t80 -45.63 -34.14 3.28 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.916 1.08 . . . . 3.06 113.916 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' B' ' 80' ' ' ILE . 2.2 mp0 -56.6 -28.4 60.26 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 122.029 0.919 . . . . 2.04 109.983 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.581 ' CD ' ' HB3' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -66.74 -44.56 81.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.609 0.718 . . . . 3.18 109.938 172.176 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' B' ' 83' ' ' MET . 16.3 t80 -70.61 -29.02 65.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.817 -1.083 . . . . 3.12 110.4 -173.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' A' ' 84' ' ' ALA . 5.9 pt -64.91 -45.97 93.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.954 -0.758 . . . . 2.0 108.954 175.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.884 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -52.23 -38.15 57.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.061 0.458 . . . . 2.01 110.223 172.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.94 -36.42 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 1.38 110.259 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 33.1 mmt -59.73 -29.85 68.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.91 110.272 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.97 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -74.76 -38.87 62.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.211 0.529 . . . . 0.35 110.563 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' B' ' 81' ' ' MET . 14.6 mtp180 -67.98 -37.0 80.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.66 -0.7 . . . . 1.67 109.637 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.438 HD21 HD21 ' B' ' 49' ' ' LEU . 80.9 mt -69.28 -28.0 65.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 1.68 109.714 172.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 28.0 m -69.88 -28.36 65.58 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.236 -0.438 . . . . 0.48 110.868 174.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -68.68 -37.1 79.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.595 0.712 . . . . 3.49 109.293 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.865 0.841 . . . . 1.18 110.144 174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 94' ' ' MET . 19.3 m -86.5 -2.22 58.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.763 -0.653 . . . . 1.74 109.955 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' HIS . . . . . 0.517 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 55.4 t-80 -84.47 -33.11 23.68 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.241 -1.022 . . . . 3.33 108.241 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 1.0 OUTLIER -76.35 -33.75 58.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.905 -1.043 . . . . 3.29 110.527 170.191 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' B' ' 109' ' ' LEU . 26.0 mtmt -81.79 -4.6 56.79 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.859 0.361 . . . . 5.62 111.416 173.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.517 ' HB2' ' HA ' ' B' ' 91' ' ' HIS . 36.5 ttp -66.69 9.06 0.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.792 1.034 . . . . 5.55 113.792 -173.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -67.48 104.78 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.585 0.707 . . . . 5.11 110.069 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.681 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -95.81 165.92 12.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.951 -1.022 . . . . 5.97 111.588 -175.066 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.41 -8.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 112.991 -1.913 . . . . 7.19 114.279 -175.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.639 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 19.8 t70 -67.0 -23.44 65.93 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 121.152 0.501 . . . . 9.86 111.113 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -114.72 19.4 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.897 0.856 . . . . 8.93 108.945 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.81 -158.59 8.58 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.166 -0.925 . . . . 6.77 112.042 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.24 162.26 9.93 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.427 2.751 . . . . 7.97 111.965 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 -7.37 84.77 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.192 -0.458 . . . . 10.54 112.076 -171.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -138.22 132.22 31.45 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.055 -1.461 . . . . 12.94 107.055 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' B' ' 96' ' ' GLU . 1.8 p80 -121.92 146.82 46.75 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.42 -0.512 . . . . 8.26 111.571 -167.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -142.82 129.03 19.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.472 -0.936 . . . . 8.24 108.472 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.96 103.65 47.72 Favored Pre-proline 0 C--N 1.318 -0.799 0 C-N-CA 120.66 -0.416 . . . . 6.24 110.377 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.5 161.94 42.78 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.572 2.848 . . . . 2.91 111.4 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.619 ' H ' ' HB2' ' B' ' 111' ' ' GLU . . . 94.36 43.39 3.74 Favored Glycine 0 N--CA 1.427 -1.926 0 C-N-CA 118.957 -1.592 . . . . 3.17 115.017 159.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.413 ' HB2' ' HE2' ' B' ' 93' ' ' LYS . 3.9 tt -87.45 -46.38 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.77 -1.937 . . . . 2.15 105.77 161.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.667 ' HA3' ' O ' ' B' ' 47' ' ' ASN . . . -124.35 -16.1 3.23 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 114.364 -1.289 . . . . 2.79 110.455 160.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.619 ' HB2' ' H ' ' B' ' 108' ' ' GLY . 2.2 mp0 -68.4 152.13 45.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.072 -0.564 . . . . 3.68 111.697 -171.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.25 111.39 1.04 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.124 -0.79 . . . . 2.85 111.124 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 8.7 t -124.58 143.74 44.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.944 0.372 . . . . 3.89 110.15 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 122.887 2.391 . . . . 5.21 112.491 178.512 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.333 -0.247 . . . . 9.06 110.333 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 m 60.27 80.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.528 0.518 . . . . 6.86 110.821 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -56.22 -53.41 57.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 5.23 110.532 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.59 -55.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.452 -0.944 . . . . 2.34 108.452 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtm -49.88 133.97 21.56 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.448 -0.797 . . . . 2.68 110.754 170.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.59 176.48 9.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.884 -1.053 . . . . 1.22 110.704 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.26 -45.55 83.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.169 0.509 . . . . 2.47 109.953 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG13 ' A' ' 12' ' ' ILE . 24.9 tp -64.63 -44.39 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.047 -0.979 . . . . 1.81 111.118 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 55.6 mt-10 -66.31 -51.48 56.91 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.078 0.77 . . . . 2.29 113.078 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.5 -34.2 73.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.282 0.563 . . . . 3.54 109.743 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.62 ' OD1' HG13 ' B' ' 15' ' ' ILE . 12.5 t-20 -64.04 -50.15 69.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.161 -0.927 . . . . 1.71 110.194 177.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 8' ' ' LEU . 82.3 mt -59.94 -40.39 82.83 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.32 110.325 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -60.38 -35.34 75.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 1.95 110.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.3 m -62.67 -45.87 90.8 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.127 0.489 . . . . 0.44 110.355 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 ' OD1' ' B' ' 11' ' ' ASN . 31.1 mt -63.01 -48.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.42 111.01 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.26 -42.77 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.763 -0.653 . . . . 0.42 110.702 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.12 -45.32 92.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.665 -0.698 . . . . 1.76 110.924 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.635 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.5 m -62.15 -50.37 72.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.8 111.106 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 9.9 m-30 -57.65 -41.81 82.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.083 0.468 . . . . 3.66 110.254 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.65 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 16.6 m80 -70.82 -37.76 73.23 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.653 -0.703 . . . . 2.82 112.786 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 18' ' ' THR . 3.3 pt20 -64.24 -33.38 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.493 -0.483 . . . . 1.45 110.624 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' HD1' ' O ' ' A' ' 18' ' ' THR . 76.3 m-85 -79.18 -34.22 43.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.963 -0.295 . . . . 1.4 111.433 175.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.65 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 4.0 p -78.14 -33.91 50.16 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.378 0.609 . . . . 1.04 111.443 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 28' ' ' HIS . 5.3 p -73.69 -5.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.69 110.348 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 97.7 mttt -62.47 -24.36 67.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.995 -0.548 . . . . 2.17 110.677 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.49 8.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.469 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.6 -28.01 8.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.776 -0.726 . . . . 1.43 113.65 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.622 ' H ' ' CD ' ' A' ' 29' ' ' PRO . 74.4 t60 176.98 -30.44 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.124 0.787 . . . . 3.7 113.124 -171.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -52.46 155.24 10.17 Favored 'Trans proline' 0 CA--C 1.446 -3.889 0 C-N-CA 124.211 3.274 . . . . 2.64 116.857 -169.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 13.34 24.02 Favored 'General case' 0 C--N 1.247 -3.857 0 O-C-N 120.31 -1.494 . . . . 2.56 109.887 -173.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.598 HG22 ' CA ' ' A' ' 75' ' ' SER . 42.2 p -126.51 139.82 52.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.956 -1.02 . . . . 1.4 111.511 -163.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' HE1' ' A' ' 63' ' ' MET . 89.9 mt -90.65 120.04 31.39 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.137 -0.938 . . . . 0.73 109.052 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 73' ' ' GLN . 26.0 t-20 -81.72 174.99 10.83 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.5 -0.926 . . . . 2.37 108.5 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -48.92 -44.51 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.973 0.509 . . . . 1.42 112.054 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -43.82 72.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.936 -0.649 . . . . 0.44 112.648 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 21.8 mm-40 -69.96 -36.1 74.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.605 0.24 . . . . 2.0 111.289 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 74' ' ' LEU . 88.2 t80 -60.11 -52.48 65.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.948 0.404 . . . . 1.47 110.296 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 26.4 mtpp -55.9 -39.29 71.38 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.46 -0.791 . . . . 1.38 110.288 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 tp10 -65.1 -45.82 83.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.766 0.666 . . . . 1.74 110.868 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' A' ' 79' ' ' PHE . 2.8 tm? -59.93 -54.05 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.707 -0.479 . . . . 1.43 109.707 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.618 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 96.9 t -57.22 -36.28 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 0.4 110.744 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 41.6 ttm180 -67.64 -33.54 75.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.262 -0.881 . . . . 3.25 112.686 -170.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 17.1 ptpt -128.67 -15.82 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.606 0.965 . . . . 2.33 113.606 -172.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 3.2 m-20 -108.23 -32.56 7.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.347 -0.541 . . . . 1.88 111.875 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 89.6 mt -101.98 5.63 40.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.239 0.616 . . . . 0.44 110.895 174.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 12.4 pt20 -50.4 -22.11 1.72 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.758 1.021 . . . . 1.46 113.758 -174.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' OD1' ' HG3' ' A' ' 111' ' ' GLU . 1.6 t-20 -103.93 -49.05 3.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.033 0.444 . . . . 2.14 110.017 -175.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' O ' HD13 ' A' ' 109' ' ' LEU . 3.3 m-30 -65.03 -36.35 84.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.642 0.734 . . . . 1.91 109.592 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 mt -110.06 24.96 12.33 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.435 -0.802 . . . . 0.61 110.323 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.73 -43.21 17.79 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -63.64 -38.28 90.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.387 0.613 . . . . 1.25 110.468 -179.192 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.38 -32.92 64.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.998 -1.001 . . . . 2.13 109.997 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -70.36 -16.58 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 1.7 110.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.11 -15.31 51.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.425 -0.807 . . . . 3.34 110.966 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -132.35 145.18 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 1.92 110.202 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -76.11 -45.61 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 2.46 111.103 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.85 -25.99 67.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 2.5 112.162 -169.349 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.32 -40.75 73.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.66 109.816 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG21 ' HA ' ' A' ' 38' ' ' LYS . 30.2 mt -63.77 -38.39 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.436 -0.802 . . . . 1.05 109.934 176.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.6 mm-40 -59.76 -38.67 82.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.829 -0.623 . . . . 1.86 110.632 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -66.17 -49.2 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 1.87 110.518 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.97 -34.36 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 1.18 110.115 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.508 ' O ' HD21 ' A' ' 74' ' ' LEU . 12.1 tpt -58.11 -53.46 58.03 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 114.172 -1.376 . . . . 1.05 111.974 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -105.32 -26.85 11.83 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 114.792 -2.763 . . . . 2.37 108.937 -162.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.06 -35.97 67.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.464 -0.335 . . . . 1.93 110.815 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 62.2 mt -78.57 -24.68 45.4 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.591 0.589 . . . . 1.26 112.591 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' HA ' ' A' ' 70' ' ' ALA . 9.9 t70 -65.34 76.99 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.507 1.146 . . . . 1.39 110.231 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 m -70.5 -24.35 62.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.799 -1.546 . . . . 1.98 110.927 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.58 -1.5 57.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.172 0.511 . . . . 2.25 109.635 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . . . 53.1 36.84 23.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.469 -1.241 . . . . 1.15 111.458 173.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -116.3 7.81 14.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 1.95 110.411 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.16 29.1 14.08 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.867 0.841 . . . . 1.64 109.339 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 29.2 mt-30 -143.06 139.27 30.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.16 -1.382 . . . . 1.59 108.973 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' THR . 45.8 mt -106.86 115.69 30.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.063 0.458 . . . . 0.7 111.05 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.598 ' CA ' HG22 ' A' ' 31' ' ' THR . 94.6 p -79.55 172.01 14.37 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.28 -0.873 . . . . 1.42 110.245 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 7.0 p90 -51.89 -40.75 61.18 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.494 -0.321 . . . . 3.07 111.237 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 80' ' ' ILE . 28.1 mm-40 -65.17 -45.58 84.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.992 0.425 . . . . 2.03 111.706 -178.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.38 -44.48 51.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.453 0.644 . . . . 3.18 110.724 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 31.0 t80 -71.98 -29.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 3.12 110.827 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.5 tp -66.15 -38.19 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.263 -0.643 . . . . 2.0 109.263 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 25.9 ttt -54.42 -36.68 64.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.974 -0.557 . . . . 2.01 110.482 172.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 38.3 tp -60.54 -42.22 96.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.934 0.397 . . . . 1.38 110.243 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.41 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 25.6 mmt -61.51 -27.57 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.682 -0.69 . . . . 0.91 110.169 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.738 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -78.18 -42.55 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.35 110.671 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 81' ' ' MET . 33.8 mtp180 -59.32 -36.53 75.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.629 0.728 . . . . 1.67 109.227 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.97 -33.45 61.9 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.05 -0.977 . . . . 1.68 109.984 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 m -65.19 -37.54 87.64 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.371 0.605 . . . . 0.48 109.854 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.671 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.1 t90 -65.45 -39.06 91.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.436 -0.802 . . . . 3.49 109.496 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.86 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.96 0.41 . . . . 1.18 110.851 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m -68.01 -37.85 81.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.078 -0.51 . . . . 1.74 110.819 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 95' ' ' HIS . 14.0 t-160 -81.18 -16.9 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.094 -0.642 . . . . 3.33 109.813 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 52.5 mm-40 -67.74 -32.27 72.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 3.3 110.699 175.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 1.8 tpmt? -100.33 -23.26 14.82 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 119.966 -0.694 . . . . 5.63 111.118 175.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 86.0 mtp -97.49 12.51 33.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.916 0.339 . . . . 5.55 111.916 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 91' ' ' HIS . 3.3 p80 -65.8 100.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.308 1.052 . . . . 5.1 110.91 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.54 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER -57.05 161.08 3.24 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 113.776 -1.556 . . . . 5.97 107.895 164.418 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.64 -57.92 15.51 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.482 -1.818 . . . . 7.17 111.198 -165.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.67 -39.75 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.426 1.113 . . . . 9.86 112.191 147.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -119.55 -8.53 9.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.46 -0.791 . . . . 8.93 110.033 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.54 ' CA ' ' HB2' ' A' ' 96' ' ' GLU . . . -169.04 142.65 7.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.096 -1.05 . . . . 6.76 112.612 -171.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.433 ' HD3' ' HA2' ' A' ' 100' ' ' GLY . 11.0 Cg_exo -72.34 137.07 27.66 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.425 2.083 . . . . 7.95 112.514 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.72 -15.79 10.69 Favored Glycine 0 CA--C 1.506 -0.482 0 N-CA-C 109.465 -1.454 . . . . 10.53 109.465 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -139.79 141.93 36.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 105.443 -2.058 . . . . 12.94 105.443 174.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -93.81 135.36 35.21 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.72 0.772 . . . . 8.25 111.656 -164.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 84.6 m-70 -112.59 163.75 14.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.43 -1.259 . . . . 8.24 111.249 -170.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 71.2 mmtt -68.16 126.55 92.79 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.86 -0.609 . . . . 6.23 112.08 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 83.7 Cg_exo -51.65 138.61 49.28 Favored 'Trans proline' 0 C--O 1.209 -0.962 0 C-N-CA 124.259 3.306 . . . . 2.91 115.872 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 49.4 -41.87 0.01 OUTLIER Glycine 0 C--N 1.307 -1.079 0 C-N-CA 128.574 2.987 . . . . 3.18 120.011 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 48' ' ' PHE . 1.4 tt -144.84 -52.4 0.29 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 120.742 2.271 . . . . 2.15 108.047 148.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.34 0.35 3.89 Favored Glycine 0 N--CA 1.46 0.242 0 CA-C-N 111.762 -2.472 . . . . 2.79 111.65 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' O ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -61.84 150.9 35.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 113.672 -1.264 . . . . 3.67 113.054 -159.55 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.93 110.98 2.64 Favored Glycine 0 N--CA 1.439 -1.153 0 C-N-CA 120.457 -0.877 . . . . 2.84 111.003 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.1 m -98.87 113.77 64.82 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 110.288 -0.264 . . . . 3.88 110.288 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.251 1.14 0 C-N-CA 122.982 2.454 . . . . 5.2 112.227 179.012 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.6 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.347 -0.242 . . . . 9.07 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m 59.94 81.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.045 0.45 . . . . 6.86 111.022 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -57.13 -52.48 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 5.24 110.345 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.88 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.149 -0.932 . . . . 2.34 108.574 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.6 mtm -49.79 133.92 21.2 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.52 -0.764 . . . . 2.68 110.735 170.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 176.49 9.38 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.904 -1.044 . . . . 1.22 110.687 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -57.43 -45.64 84.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.256 0.551 . . . . 2.47 109.894 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 12' ' ' ILE . 24.8 tp -64.38 -44.47 91.26 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.079 -0.964 . . . . 1.81 111.166 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 55.9 mt-10 -66.29 -51.36 58.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.035 0.754 . . . . 2.28 113.035 -172.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -60.44 -34.48 74.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.205 0.526 . . . . 3.54 109.731 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.614 ' OD1' HG13 ' A' ' 15' ' ' ILE . 12.3 t-20 -63.88 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.067 -0.969 . . . . 1.7 110.186 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 8' ' ' LEU . 81.9 mt -59.8 -40.5 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.33 110.33 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.43 -35.41 75.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.292 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -62.57 -46.14 89.7 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.008 0.432 . . . . 0.44 110.252 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.62 HG13 ' OD1' ' A' ' 11' ' ' ASN . 31.3 mt -62.55 -48.5 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.905 -0.589 . . . . 0.42 111.046 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.25 -42.52 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.42 110.743 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -63.32 -45.54 90.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 1.76 110.885 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 m -61.89 -50.66 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.8 111.166 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.437 ' CZ ' HG23 ' B' ' 15' ' ' ILE . 9.9 m-30 -57.19 -42.31 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 3.66 110.231 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.63 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 16.1 m80 -70.29 -37.92 74.91 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.674 -0.694 . . . . 2.83 112.764 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 18' ' ' THR . 3.3 pt20 -64.24 -33.31 75.53 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.589 -0.444 . . . . 1.45 110.577 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.508 ' HD1' ' O ' ' B' ' 18' ' ' THR . 77.3 m-85 -79.23 -34.12 43.03 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.5 -0.318 . . . . 1.4 111.468 175.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 3.9 p -78.61 -33.64 47.3 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.309 0.576 . . . . 1.04 111.318 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' B' ' 28' ' ' HIS . 5.1 p -73.24 -5.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.704 -0.68 . . . . 0.69 110.2 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 97.3 mttt -62.56 -24.13 67.36 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.03 -0.532 . . . . 2.17 110.612 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.42 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 2.04 110.316 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.66 -29.22 7.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.976 -0.631 . . . . 1.43 113.368 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.637 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 73.5 t60 179.59 -33.69 0.0 OUTLIER Pre-proline 0 CA--C 1.575 1.942 0 N-CA-C 113.524 0.935 . . . . 3.7 113.524 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' H ' ' B' ' 28' ' ' HIS . 3.9 Cg_exo -45.27 155.3 0.4 Allowed 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 125.236 3.957 . . . . 2.64 115.83 -172.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.43 11.31 28.85 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.742 -1.117 . . . . 2.56 110.193 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.604 HG22 ' CA ' ' B' ' 75' ' ' SER . 46.6 p -126.84 142.13 51.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.968 -1.015 . . . . 1.4 111.778 -163.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HE1' ' B' ' 63' ' ' MET . 86.3 mt -92.2 119.83 32.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.121 -0.945 . . . . 0.73 109.156 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' HG2' ' B' ' 73' ' ' GLN . 26.2 t-20 -81.64 174.22 11.59 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.471 -0.937 . . . . 2.37 108.471 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.64 -44.09 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.842 0.457 . . . . 1.42 111.873 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 -43.29 69.39 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.336 -0.935 . . . . 0.44 112.446 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' B' ' 25' ' ' LYS . 20.6 mm-40 -70.13 -36.22 74.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.656 0.265 . . . . 2.01 111.185 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.441 ' CD2' HD12 ' B' ' 74' ' ' LEU . 88.1 t80 -59.88 -52.62 64.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.47 110.343 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 26.4 mtpp -55.85 -39.15 71.05 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.395 -0.821 . . . . 1.39 110.369 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 5.6 tp10 -65.18 -45.9 83.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.756 0.66 . . . . 1.75 110.754 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' B' ' 79' ' ' PHE . 2.8 tm? -59.99 -53.89 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 1.43 109.722 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 97.0 t -57.27 -36.35 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.472 0.653 . . . . 0.4 110.767 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' B' ' 38' ' ' LYS . 41.6 ttm180 -67.67 -33.35 74.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.122 -0.944 . . . . 3.25 112.723 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 17.1 ptpt -128.79 -15.74 4.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.589 0.959 . . . . 2.33 113.589 -172.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 3.3 m-20 -108.44 -32.43 7.43 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.32 -0.552 . . . . 1.87 111.95 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 89.6 mt -101.96 5.75 40.93 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.252 0.621 . . . . 0.44 110.864 174.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 12.4 pt20 -50.54 -22.25 1.89 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.644 0.979 . . . . 1.46 113.644 -174.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' HG3' ' B' ' 111' ' ' GLU . 1.5 t-20 -103.77 -49.06 3.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.948 0.404 . . . . 2.14 109.964 -175.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.495 ' O ' HD13 ' B' ' 109' ' ' LEU . 3.3 m-30 -65.01 -36.19 83.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.63 0.729 . . . . 1.92 109.637 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.23 25.03 12.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.416 -0.811 . . . . 0.61 110.267 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -46.76 -43.36 18.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.212 0.449 . . . . 2.15 112.212 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -63.27 -38.33 90.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.501 0.667 . . . . 1.25 110.573 -179.281 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.42 -33.01 64.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.983 -1.008 . . . . 2.13 109.95 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -70.36 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.715 0.769 . . . . 1.7 110.072 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -82.96 -15.67 50.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.447 -0.797 . . . . 3.34 110.928 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -132.08 145.07 51.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 1.92 110.184 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 42.2 mt-10 -75.97 -45.63 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.088 0.47 . . . . 2.46 111.123 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.445 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -65.83 -26.05 67.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.448 -0.796 . . . . 2.5 112.138 -169.269 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.32 -40.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.733 -0.469 . . . . 0.66 109.733 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' B' ' 38' ' ' LYS . 30.3 mt -63.74 -38.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.425 -0.807 . . . . 1.05 109.955 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 25.9 mm-40 -59.55 -38.72 81.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.658 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -66.16 -49.23 68.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.556 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.83 -34.47 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.426 0.631 . . . . 1.18 110.135 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.509 ' O ' HD21 ' B' ' 74' ' ' LEU . 12.0 tpt -58.11 -53.46 58.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.233 -1.349 . . . . 1.05 111.957 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -105.24 -26.9 11.85 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 114.779 -2.769 . . . . 2.36 108.864 -162.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.0 -35.84 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.002 -0.279 . . . . 1.93 110.911 169.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.572 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 61.6 mt -78.64 -24.91 44.99 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.564 0.579 . . . . 1.26 112.564 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.441 ' OD1' ' HA ' ' B' ' 70' ' ' ALA . 9.7 t70 -65.13 76.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.503 1.144 . . . . 1.4 110.344 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -70.25 -24.61 63.1 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.845 -1.525 . . . . 1.98 110.847 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.33 -1.58 57.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.233 0.54 . . . . 2.25 109.633 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . . . 53.32 36.58 23.22 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 114.55 -1.205 . . . . 1.14 111.468 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.22 8.12 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.729 -0.669 . . . . 1.95 110.392 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.9 29.31 14.56 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.773 0.797 . . . . 1.64 109.399 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' B' ' 31' ' ' THR . 29.3 mt-30 -143.25 139.14 30.07 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.252 -1.34 . . . . 1.59 108.983 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' B' ' 31' ' ' THR . 45.2 mt -107.03 115.28 29.91 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.7 110.988 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.604 ' CA ' HG22 ' B' ' 31' ' ' THR . 95.0 p -79.09 172.22 14.11 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.279 -0.873 . . . . 1.41 110.215 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.676 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 6.8 p90 -52.23 -40.61 61.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.617 -0.265 . . . . 3.06 111.187 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 80' ' ' ILE . 28.6 mm-40 -65.13 -45.6 84.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 2.04 111.768 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.37 -44.57 51.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.297 0.57 . . . . 3.18 110.672 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 30.7 t80 -71.86 -30.0 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.312 -0.404 . . . . 3.12 110.802 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.738 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.4 tp -66.13 -38.02 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.369 -0.604 . . . . 2.0 109.369 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.589 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 25.8 ttt -54.76 -36.32 64.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.01 110.436 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' B' ' 66' ' ' LEU . 37.8 tp -60.76 -42.18 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 1.38 110.217 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.417 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 25.5 mmt -61.74 -27.39 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.91 110.089 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -78.27 -42.57 30.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.35 110.695 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 81' ' ' MET . 33.4 mtp180 -59.3 -36.6 75.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.603 0.716 . . . . 1.67 109.227 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.84 -33.26 62.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.913 -1.04 . . . . 1.68 110.135 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -65.3 -37.51 87.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.276 0.56 . . . . 0.48 109.745 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.669 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t90 -65.49 -39.14 91.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.551 -0.75 . . . . 3.49 109.545 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.16 80.2 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.25 -0.432 . . . . 1.18 110.869 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.1 m -67.99 -37.99 82.14 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.105 -0.498 . . . . 1.74 110.742 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' B' ' 95' ' ' HIS . 14.0 t-160 -80.86 -17.32 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.183 -0.607 . . . . 3.33 109.758 178.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 48.3 mm-40 -67.29 -32.81 74.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.606 -0.27 . . . . 3.29 110.713 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 105' ' ' HIS . 1.8 tpmt? -100.0 -23.44 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.886 -0.726 . . . . 5.62 111.012 175.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 85.8 mtp -97.2 12.23 33.58 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 122.192 -0.317 . . . . 5.55 111.802 -177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' B' ' 91' ' ' HIS . 3.5 p80 -65.56 100.86 0.54 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.3 1.047 . . . . 5.11 110.817 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.521 ' HB2' ' CA ' ' B' ' 100' ' ' GLY . 0.3 OUTLIER -57.41 161.23 3.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.688 -1.596 . . . . 5.97 107.832 164.637 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.41 -58.21 14.41 Favored Glycine 0 CA--C 1.505 -0.538 0 C-N-CA 118.308 -1.901 . . . . 7.19 111.128 -165.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -127.53 -39.86 1.81 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 118.284 1.042 . . . . 9.86 112.268 147.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -119.61 -8.71 9.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.775 . . . . 8.93 110.017 -177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' B' ' 96' ' ' GLU . . . -169.01 142.6 7.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.012 -1.09 . . . . 6.77 112.476 -171.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.43 ' HD3' ' HA2' ' B' ' 100' ' ' GLY . 11.0 Cg_exo -72.1 137.12 28.37 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.546 2.164 . . . . 7.97 112.519 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.73 -16.11 10.36 Favored Glycine 0 CA--C 1.507 -0.467 0 N-CA-C 109.482 -1.447 . . . . 10.54 109.482 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -139.59 141.82 37.14 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 105.243 -2.132 . . . . 12.94 105.243 174.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -93.74 135.51 34.96 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.516 0.674 . . . . 8.26 111.508 -164.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' B' ' 93' ' ' LYS . 84.6 m-70 -112.79 163.62 14.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.325 -1.307 . . . . 8.24 111.242 -170.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -68.09 126.5 92.73 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.804 -0.635 . . . . 6.24 112.151 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.496 ' HD2' ' O ' ' B' ' 111' ' ' GLU . 83.3 Cg_exo -51.66 138.58 49.34 Favored 'Trans proline' 0 C--O 1.21 -0.915 0 C-N-CA 124.344 3.363 . . . . 2.91 115.902 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 49.57 -41.92 0.01 OUTLIER Glycine 0 C--N 1.308 -0.982 0 C-N-CA 128.506 2.955 . . . . 3.17 120.012 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.495 HD13 ' O ' ' B' ' 48' ' ' PHE . 1.4 tt -144.88 -52.47 0.29 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 120.744 2.272 . . . . 2.15 108.134 148.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.27 0.2 3.89 Favored Glycine 0 N--CA 1.461 0.335 0 CA-C-N 111.663 -2.517 . . . . 2.79 111.614 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.496 ' O ' ' HD2' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -61.61 151.05 34.46 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.646 -1.277 . . . . 3.68 113.042 -159.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.18 110.93 2.6 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.353 -0.927 . . . . 2.85 110.938 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 26.2 m -98.78 113.91 64.9 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 110.118 -0.327 . . . . 3.89 110.118 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 122.892 2.395 . . . . 5.21 111.871 179.082 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.864 0.364 . . . . 9.06 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 t -136.46 97.23 3.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.539 0.685 . . . . 6.86 110.062 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -140.56 114.23 8.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.637 -0.71 . . . . 5.23 110.015 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -77.99 -65.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.303 -0.408 . . . . 2.34 110.238 178.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.602 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 3.6 mpp? -54.1 145.73 16.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.547 0.689 . . . . 2.68 110.587 172.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 52.1 m -110.17 179.8 4.0 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.669 -1.15 . . . . 1.22 109.016 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.96 -39.27 85.03 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.915 0.388 . . . . 2.47 111.794 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -71.0 -49.66 42.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.687 0.625 . . . . 1.81 112.687 -164.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 6' ' ' SER . 0.3 OUTLIER -70.01 -39.62 75.74 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.98 0.355 . . . . 2.29 111.797 -173.001 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -60.06 -34.71 73.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.109 0.48 . . . . 3.54 110.328 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.99 -37.47 81.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 1.71 110.521 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.9 mt -63.08 -48.57 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.32 110.676 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.99 -36.6 79.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.464 -0.334 . . . . 1.95 110.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -61.79 -41.15 97.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.361 0.6 . . . . 0.44 110.257 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' B' ' 15' ' ' ILE . 28.6 mt -66.56 -48.25 80.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 0.42 110.774 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.94 -41.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.857 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.267 -0.424 . . . . 1.76 111.758 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.75 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.5 m -68.35 -50.51 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.775 -0.454 . . . . 0.8 109.775 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -55.88 -39.83 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.619 -0.512 . . . . 3.66 109.619 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.473 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 59.3 t-80 -57.19 -44.97 84.12 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.209 -0.905 . . . . 2.82 112.272 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.75 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.7 pt20 -67.29 -33.5 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.166 0.439 . . . . 1.45 111.125 -176.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 97.6 m-85 -76.18 -36.56 58.64 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.224 -0.59 . . . . 1.4 110.02 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 17.7 p -77.9 -32.94 52.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.235 0.54 . . . . 1.04 111.413 -176.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.6 p -70.58 -3.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 0.69 111.419 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD2' ' CG ' ' A' ' 36' ' ' GLU . 67.8 mttm -64.02 -26.15 68.44 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.118 -0.492 . . . . 2.17 109.772 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' A' ' 33' ' ' ASN . 6.7 mp -90.39 12.8 17.31 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.14 -0.482 . . . . 2.04 112.057 175.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.03 -116.12 5.06 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 120.719 -0.753 . . . . 1.43 111.464 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -62.48 106.94 0.96 Allowed Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 106.841 -1.54 . . . . 3.7 106.841 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.68 ' O ' ' HB2' ' A' ' 23' ' ' SER . 49.8 Cg_endo -76.08 44.14 1.27 Allowed 'Trans proline' 0 CA--C 1.516 -0.396 0 CA-C-O 116.917 -1.368 . . . . 2.64 115.499 -153.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.62 1.81 6.11 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 123.269 2.759 . . . . 2.56 113.631 -150.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.599 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 1.7 t -157.31 159.4 37.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.02 0.528 . . . . 1.4 111.74 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 mt -99.16 119.95 38.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.884 -1.154 . . . . 0.73 107.884 159.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' A' ' 26' ' ' LEU . 9.4 p30 -81.07 174.0 12.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.547 -0.861 . . . . 2.37 110.065 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 48.5 tt0 -49.75 -43.88 48.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.623 0.577 . . . . 1.42 111.976 -175.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.81 47.0 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.434 -0.889 . . . . 0.44 111.698 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.55 -37.58 77.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.425 . . . . 2.0 111.178 -178.482 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.86 -52.35 57.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 1.47 110.558 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.8 mtpp -56.84 -45.14 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.115 -0.493 . . . . 1.38 110.852 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 33.0 tt0 -62.77 -45.37 92.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.716 0.294 . . . . 1.74 110.87 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.48 -49.47 77.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.55 -0.537 . . . . 1.43 109.55 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.0 t -59.93 -37.34 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.635 -0.711 . . . . 0.4 110.833 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 77.7 mtp180 -70.59 -29.4 65.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.392 0.516 . . . . 3.25 112.392 -175.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 36.6 mtmt -104.29 -56.52 2.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.64 0.607 . . . . 2.33 112.64 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.94 -42.49 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.492 -0.483 . . . . 1.88 111.037 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 77.8 mt -94.44 2.71 55.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.274 -0.421 . . . . 0.44 111.416 -175.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 11.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.054 0.542 . . . . 1.46 112.005 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 19.4 p-10 -97.42 -46.58 6.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.664 -0.698 . . . . 2.14 111.35 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' B' ' 9' ' ' GLU . 2.7 m-85 -72.09 -34.28 68.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.343 0.592 . . . . 1.91 110.596 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -104.21 24.02 12.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.803 -0.814 . . . . 0.61 108.803 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.4 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.283 0.845 . . . . 2.16 113.283 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.617 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -57.76 -37.51 73.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.446 0.641 . . . . 1.25 110.653 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.8 tt0 -74.55 -33.88 62.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.171 -0.922 . . . . 2.13 110.942 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.414 HD21 ' HG2' ' A' ' 42' ' ' ARG . 4.9 t-20 -65.8 -18.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.7 110.943 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -4.55 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.102 -0.499 . . . . 3.34 110.991 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.49 145.72 51.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.842 -0.429 . . . . 1.92 109.842 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.8 mp0 -85.89 -43.62 13.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.46 110.503 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -58.7 -28.61 65.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 2.5 111.913 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 3.9 t -71.43 -38.3 68.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.66 109.992 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 mt -70.93 -35.08 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 1.05 109.776 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 21.0 mm-40 -57.44 -35.71 70.45 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.305 0.574 . . . . 1.86 109.796 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -63.87 -48.84 75.09 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.399 -0.819 . . . . 1.87 110.199 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 82' ' ' LEU . 31.0 mt -62.87 -34.86 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.714 0.768 . . . . 1.18 109.827 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.1 tpt -57.98 -37.86 75.01 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.425 -1.716 . . . . 1.05 111.86 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.7 tt0 -120.86 -30.52 4.4 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 115.561 -2.456 . . . . 2.37 111.364 -177.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.61 -34.88 67.65 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.622 -0.431 . . . . 1.93 110.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 85' ' ' ARG . 22.7 mt -81.56 -29.49 33.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.787 -0.365 . . . . 1.26 111.404 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 63.3 t0 -70.59 89.43 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.771 0.796 . . . . 1.39 111.061 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.0 m -60.43 -22.55 63.54 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.537 -1.21 . . . . 1.98 111.431 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.55 -6.31 49.89 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.587 -0.445 . . . . 2.25 110.681 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.19 33.9 10.33 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.244 -0.889 . . . . 1.15 113.037 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -117.13 18.44 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.746 -0.207 . . . . 1.95 110.769 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 65.05 38.55 6.12 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.934 0.771 . . . . 1.64 109.441 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.599 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 94.5 mt-30 -142.71 141.44 31.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.055 -0.975 . . . . 1.59 110.466 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 62.2 mt -114.91 114.5 25.56 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.446 -0.502 . . . . 0.7 110.5 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 m -77.02 166.3 23.49 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.959 -0.756 . . . . 1.42 108.959 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.693 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 22.7 p90 -52.32 -40.63 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.909 0.707 . . . . 3.07 112.909 -175.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 80' ' ' ILE . 35.3 mt-10 -69.8 -29.27 66.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 2.03 111.452 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 66' ' ' LEU . 18.8 mm-40 -76.66 -48.81 17.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.149 0.499 . . . . 3.18 109.752 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.693 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 2.1 p90 -73.38 -25.41 60.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.186 -0.605 . . . . 3.12 111.135 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.5 tp -65.07 -40.94 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.059 -0.656 . . . . 2.0 109.67 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.636 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 85.4 mmm -53.26 -37.21 61.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.711 -0.222 . . . . 2.01 111.075 170.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 53.6 tp -58.45 -40.31 82.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.909 0.385 . . . . 1.38 110.203 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 mmt -63.87 -26.84 68.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.955 -0.566 . . . . 0.91 110.01 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -79.57 -36.85 37.62 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.35 110.327 175.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -64.67 -36.28 83.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.527 0.68 . . . . 1.67 109.368 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.0 tp -77.19 -28.32 53.89 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.439 -0.801 . . . . 1.68 109.612 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.8 m -65.82 -32.13 73.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.573 -0.529 . . . . 0.48 109.573 171.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.7 t90 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.518 -0.549 . . . . 3.49 109.518 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.12 -32.73 74.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 1.18 110.421 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.95 -36.18 75.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.675 . . . . 1.74 109.683 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' A' ' 94' ' ' MET . 53.5 t-80 -64.55 -39.03 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.335 -0.848 . . . . 3.33 110.878 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.0 pt-20 -80.39 -35.56 35.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.42 -0.355 . . . . 3.3 111.463 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 93' ' ' LYS . 19.3 tptm -82.52 -8.09 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 5.63 111.414 -176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' A' ' 91' ' ' HIS . 25.6 ptt? -83.32 9.56 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.446 0.536 . . . . 5.55 112.446 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -71.77 77.08 0.86 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.194 0.997 . . . . 5.1 111.515 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.501 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 10.6 tp10 -60.96 164.44 4.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.974 -1.012 . . . . 5.97 108.307 167.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -45.06 -46.62 9.84 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-O 118.554 -1.137 . . . . 7.17 113.644 -157.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.81 -42.5 2.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 120.348 2.074 . . . . 9.86 116.556 166.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.43 -38.67 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.155 -1.018 . . . . 8.93 112.911 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.501 ' CA ' ' HB3' ' A' ' 96' ' ' GLU . . . 165.45 166.51 24.56 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.379 -0.915 . . . . 6.76 111.826 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HB2' ' O ' ' A' ' 103' ' ' HIS . 7.4 Cg_exo -73.34 154.78 51.26 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.877 2.385 . . . . 7.95 112.559 179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.49 -11.29 78.01 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.73 -0.948 . . . . 10.53 110.73 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 48.9 t-80 -140.27 129.43 23.67 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 104.783 -2.303 . . . . 12.94 104.783 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -94.93 90.94 6.17 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 118.291 -1.363 . . . . 8.25 113.197 -161.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -150.53 127.59 11.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.128 -1.851 . . . . 8.24 107.153 162.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -118.45 123.38 29.31 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.55 -0.537 . . . . 6.23 109.55 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.597 ' HA ' ' OE2' ' A' ' 111' ' ' GLU . 23.5 Cg_endo -73.76 157.65 47.72 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.047 1.831 . . . . 2.91 110.346 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.752 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 90.14 33.65 8.71 Favored Glycine 0 N--CA 1.428 -1.89 0 C-N-CA 118.174 -1.965 . . . . 3.18 115.466 159.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -88.88 -42.34 11.91 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.043 -1.465 . . . . 2.15 107.043 167.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ASN . . . -122.31 6.1 10.06 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.569 -1.013 . . . . 2.79 110.569 166.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.752 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 5.4 mt-10 -110.06 156.59 20.33 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.436 -0.882 . . . . 3.67 110.454 -168.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.38 108.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.253 -1.451 . . . . 2.84 112.326 169.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 11.1 t -152.56 136.16 9.87 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 110.163 -0.31 . . . . 3.88 110.163 171.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 113' ' ' THR . 7.9 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 122.624 2.216 . . . . 5.2 111.862 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.787 0.327 . . . . 9.07 110.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -136.4 97.3 3.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.7 . . . . 6.86 109.975 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -140.81 113.59 8.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 5.24 110.147 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.536 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 0.5 OUTLIER -77.44 -65.69 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 2.34 110.187 178.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' MET . . . . . 0.605 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 3.6 mpp? -53.9 146.41 14.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.619 0.724 . . . . 2.68 110.486 172.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.55 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 55.7 m -110.85 179.74 3.97 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.713 -1.131 . . . . 1.22 109.144 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.89 -39.33 84.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.938 0.399 . . . . 2.47 111.639 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.613 ' O ' HG13 ' B' ' 12' ' ' ILE . 0.8 OUTLIER -71.12 -49.61 42.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.665 0.617 . . . . 1.81 112.665 -164.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.03 -39.55 75.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.99 0.359 . . . . 2.28 111.875 -172.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -60.06 -34.78 73.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 3.54 110.343 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -67.95 -37.47 81.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 1.7 110.595 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.613 HG13 ' O ' ' B' ' 8' ' ' LEU . 69.3 mt -63.08 -48.56 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.333 -0.394 . . . . 0.33 110.776 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.71 -36.72 79.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 1.95 111.018 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.6 m -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.44 110.284 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 15' ' ' ILE . 28.0 mt -66.45 -48.2 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.817 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.13 -41.42 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 0.42 110.83 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -69.43 -30.87 68.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.22 -0.445 . . . . 1.76 111.863 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.0 m -68.49 -50.59 51.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.802 -0.444 . . . . 0.8 109.802 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' B' ' 32' ' ' LEU . 25.2 m-85 -55.79 -39.75 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.142 0.496 . . . . 3.66 109.675 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' HIS . . . . . 0.472 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 59.3 t-80 -57.25 -44.85 84.26 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.249 -0.887 . . . . 2.83 112.404 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.754 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.7 pt20 -67.26 -33.72 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 118.035 0.38 . . . . 1.45 111.144 -176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.545 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 97.5 m-85 -76.01 -36.51 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.128 -0.629 . . . . 1.4 110.034 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.677 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 18.4 p -77.94 -32.83 51.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 1.04 111.51 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -70.72 -3.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.69 111.316 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.588 ' HD2' ' CG ' ' B' ' 36' ' ' GLU . 67.7 mttm -63.82 -26.36 68.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.095 -0.502 . . . . 2.17 109.712 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' B' ' 33' ' ' ASN . 6.7 mp -90.22 12.72 17.22 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.194 -0.457 . . . . 2.04 112.075 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.14 -116.1 5.07 Favored Glycine 0 C--O 1.228 -0.278 0 C-N-CA 120.724 -0.751 . . . . 1.43 111.307 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -62.63 106.91 0.97 Allowed Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 106.784 -1.562 . . . . 3.7 106.784 167.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' B' ' 23' ' ' SER . 50.2 Cg_endo -76.06 44.03 1.25 Allowed 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-O 116.901 -1.375 . . . . 2.64 115.571 -153.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -71.6 1.47 6.58 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 123.3 2.773 . . . . 2.56 113.568 -150.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 1.7 t -156.97 159.34 37.96 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.175 0.59 . . . . 1.4 111.794 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' B' ' 19' ' ' PHE . 54.3 mt -99.05 120.06 38.84 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.868 -1.16 . . . . 0.73 107.868 159.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' B' ' 26' ' ' LEU . 9.4 p30 -81.21 173.94 12.03 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.518 -0.873 . . . . 2.37 110.037 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.92 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 48.2 tt0 -49.61 -44.04 46.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.698 0.624 . . . . 1.42 112.003 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.91 46.54 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.457 -0.877 . . . . 0.44 111.654 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.588 ' CG ' ' HD2' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -69.28 -37.51 77.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.369 . . . . 2.01 111.212 -178.493 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.87 -52.36 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.377 -0.374 . . . . 1.47 110.552 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 27.8 mtpp -56.95 -45.17 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.146 -0.479 . . . . 1.39 110.911 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 33.3 tt0 -62.69 -45.27 93.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 1.75 110.944 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.49 -49.52 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.597 -0.52 . . . . 1.43 109.597 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 76.2 t -59.82 -37.36 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.601 -0.727 . . . . 0.4 110.832 177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.661 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 77.4 mtp180 -70.61 -29.4 65.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.378 0.51 . . . . 3.25 112.378 -175.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 36.6 mtmt -104.36 -56.39 2.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.692 0.627 . . . . 2.33 112.692 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.95 -42.65 17.37 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.62 -0.432 . . . . 1.87 110.957 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 78.1 mt -94.27 2.6 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.44 111.469 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.661 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 11.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.019 0.528 . . . . 1.46 111.918 -175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.602 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 19.5 p-10 -97.49 -46.44 6.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.733 -0.667 . . . . 2.14 111.311 -177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' GLU . 2.7 m-85 -72.17 -34.51 68.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.312 0.577 . . . . 1.92 110.508 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.96 24.04 11.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.816 -0.809 . . . . 0.61 108.816 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.44 4.64 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.249 0.833 . . . . 2.15 113.249 -171.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.616 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -57.81 -37.24 73.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.363 0.601 . . . . 1.25 110.746 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.2 tt0 -74.77 -33.76 62.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.179 -0.919 . . . . 2.13 111.073 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.409 HD21 ' HG2' ' B' ' 42' ' ' ARG . 5.0 t-20 -65.91 -18.0 65.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 1.7 111.023 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.11 -4.88 57.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 3.34 110.968 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.19 145.63 51.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.911 -0.403 . . . . 1.92 109.911 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 mp0 -85.9 -43.8 12.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 2.46 110.474 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -58.69 -28.25 65.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 2.5 112.037 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 3.9 t -71.68 -38.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.224 0.535 . . . . 0.66 110.071 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -71.2 -35.06 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 1.05 109.852 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 21.0 mm-40 -57.3 -35.9 70.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.238 0.542 . . . . 1.85 109.774 174.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -63.76 -48.89 75.16 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.425 -0.807 . . . . 1.87 110.185 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.46 HG21 HD13 ' B' ' 82' ' ' LEU . 30.8 mt -62.76 -34.94 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.838 0.828 . . . . 1.18 109.872 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.1 tpt -57.93 -37.55 74.31 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 113.385 -1.734 . . . . 1.05 111.912 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 27.7 tt0 -121.09 -30.55 4.33 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 115.466 -2.494 . . . . 2.36 111.298 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.79 -34.4 67.62 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.541 -0.464 . . . . 1.93 110.652 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 85' ' ' ARG . 22.8 mt -82.01 -29.14 32.17 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.769 -0.372 . . . . 1.26 111.457 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 63.1 t0 -70.8 89.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.915 0.864 . . . . 1.4 111.037 -174.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 86.0 m -60.78 -22.55 64.21 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.317 -1.31 . . . . 1.98 111.401 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.6 -6.19 50.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 2.25 110.604 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.0 33.79 9.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.261 -0.881 . . . . 1.14 113.133 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.02 18.17 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.648 0.261 . . . . 1.95 110.605 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 34' ' ' GLN . 0.2 OUTLIER 65.18 38.6 5.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.669 -0.696 . . . . 1.64 109.352 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.597 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 94.0 mt-30 -142.8 141.26 31.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.979 -1.01 . . . . 1.59 110.532 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 61.4 mt -114.64 114.59 25.88 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.9 -0.5 . . . . 0.7 110.527 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 5.7 m -77.03 166.41 23.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.007 -0.738 . . . . 1.41 109.007 175.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.704 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 22.7 p90 -52.34 -40.59 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.885 0.698 . . . . 3.06 112.885 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.464 ' O ' HG22 ' B' ' 80' ' ' ILE . 35.3 mt-10 -69.78 -29.43 66.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 2.04 111.482 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.415 ' O ' HD13 ' B' ' 66' ' ' LEU . 18.8 mm-40 -76.56 -48.75 18.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.22 0.533 . . . . 3.18 109.75 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.704 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 2.2 p90 -73.27 -25.38 60.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.137 -0.625 . . . . 3.12 111.181 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.5 tp -65.21 -40.84 90.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 2.0 109.623 176.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.634 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 85.6 mmm -53.23 -37.38 62.01 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.739 -0.209 . . . . 2.01 110.997 170.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 53.7 tp -58.45 -40.3 82.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.948 0.404 . . . . 1.38 110.172 175.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.76 -26.86 68.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.015 -0.539 . . . . 0.91 110.012 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -79.5 -37.03 37.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.945 0.402 . . . . 0.35 110.36 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.9 mtp180 -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.511 0.672 . . . . 1.67 109.384 176.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -77.32 -28.3 53.12 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 115.467 -0.788 . . . . 1.68 109.598 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -65.74 -32.03 73.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.599 -0.519 . . . . 0.48 109.599 171.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' TRP . . . . . 0.505 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 24.8 t90 -66.86 -36.14 81.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.459 -0.571 . . . . 3.49 109.459 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.0 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 1.18 110.386 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.72 -36.12 75.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.667 -0.697 . . . . 1.74 109.559 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' B' ' 94' ' ' MET . 53.3 t-80 -64.74 -38.64 91.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.392 -0.822 . . . . 3.33 110.889 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.1 pt-20 -80.82 -35.52 32.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.307 -0.406 . . . . 3.29 111.468 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -82.36 -8.28 59.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 5.62 111.338 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 91' ' ' HIS . 25.6 ptt? -83.37 9.88 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.51 0.559 . . . . 5.55 112.51 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -72.02 76.99 0.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.169 0.985 . . . . 5.11 111.512 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.502 ' HB3' ' CA ' ' B' ' 100' ' ' GLY . 10.4 tp10 -61.28 164.32 5.55 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.968 -1.015 . . . . 5.97 108.309 167.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -44.92 -46.55 9.4 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-O 118.535 -1.147 . . . . 7.19 113.739 -157.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -119.86 -42.41 2.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 120.43 2.115 . . . . 9.86 116.628 166.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -125.51 -38.72 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.396 -0.922 . . . . 8.93 112.909 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.502 ' CA ' ' HB3' ' B' ' 96' ' ' GLU . . . 165.53 166.67 24.91 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.227 -0.987 . . . . 6.77 111.864 -170.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.427 ' HB2' ' O ' ' B' ' 103' ' ' HIS . 7.4 Cg_exo -73.33 154.83 51.35 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.759 2.306 . . . . 7.97 112.632 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.64 -11.08 78.13 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 110.758 -0.937 . . . . 10.54 110.758 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' B' ' 101' ' ' PRO . 49.3 t-80 -140.13 129.38 23.81 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 104.787 -2.301 . . . . 12.94 104.787 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -94.91 91.03 6.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 118.192 -1.403 . . . . 8.26 113.138 -161.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -150.46 127.64 11.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 113.227 -1.806 . . . . 8.24 107.293 161.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -118.25 123.38 29.44 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 109.667 -0.494 . . . . 6.24 109.667 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.592 ' HA ' ' OE2' ' B' ' 111' ' ' GLU . 23.3 Cg_endo -73.64 157.72 48.12 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.022 1.814 . . . . 2.91 110.379 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLY . . . . . 0.745 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 90.04 33.53 8.85 Favored Glycine 0 N--CA 1.428 -1.855 0 C-N-CA 118.227 -1.939 . . . . 3.17 115.436 158.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -88.53 -42.5 12.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.051 -1.463 . . . . 2.15 107.051 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' B' ' 47' ' ' ASN . . . -122.19 6.18 10.15 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.557 -1.017 . . . . 2.79 110.557 166.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.745 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 5.4 mt-10 -109.99 156.82 19.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.499 -0.85 . . . . 3.68 110.472 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.55 108.46 0.87 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.151 -1.5 . . . . 2.85 112.339 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . 11.0 t -152.55 136.32 10.0 Favored Pre-proline 0 CA--C 1.534 0.349 0 N-CA-C 109.986 -0.376 . . . . 3.89 109.986 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 113' ' ' THR . 9.0 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.588 2.192 . . . . 5.21 112.092 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.57 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 40.7 mtp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 112.533 0.568 . . . . 2.68 112.533 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -119.21 175.94 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 1.22 109.879 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.5 -48.01 76.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.926 0.394 . . . . 2.47 110.769 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.746 HD21 ' HB ' ' B' ' 18' ' ' THR . 34.0 mt -69.31 -41.37 76.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.038 -0.528 . . . . 1.81 111.365 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.535 ' OE1' ' HG2' ' A' ' 5' ' ' MET . 2.8 tm-20 -63.51 -50.01 71.29 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.182 0.301 . . . . 2.29 110.763 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtm180 -55.95 -42.64 76.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.199 0.523 . . . . 3.54 110.514 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' B' ' 11' ' ' ASN . 2.6 m120 -62.04 -39.39 92.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.46 -0.791 . . . . 1.71 111.525 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 8' ' ' LEU . 66.8 mt -67.88 -46.96 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.949 -0.389 . . . . 0.32 109.949 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.34 -44.11 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.95 110.147 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.556 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 47.1 m -59.06 -41.12 87.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.451 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.741 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 20.2 mt -65.56 -49.59 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.742 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 90' ' ' SER . 96.8 mt -54.41 -52.82 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.53 -0.759 . . . . 0.42 111.626 -178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 14' ' ' THR . 9.7 p30 -70.53 -32.87 70.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.323 -0.551 . . . . 1.76 112.207 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.771 ' HB ' HD21 ' B' ' 8' ' ' LEU . 8.8 m -75.85 -47.59 24.95 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.281 -0.568 . . . . 0.8 110.391 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -53.48 -41.05 65.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.317 -0.623 . . . . 3.66 109.317 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.427 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 35.6 m170 -69.39 -21.92 63.75 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.465 -0.789 . . . . 2.82 112.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt20 -68.88 -31.57 70.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.996 0.817 . . . . 1.45 109.049 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' A' ' 40' ' ' LEU . 93.7 m-85 -77.66 -30.83 52.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 1.4 110.003 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 29' ' ' PRO . 2.4 m -76.71 -29.72 56.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.538 0.685 . . . . 1.04 111.161 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.8 p -78.04 -3.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.69 111.569 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.2 -23.81 67.45 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.531 . . . . 2.17 110.598 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -88.74 -6.86 57.14 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.226 0.454 . . . . 2.04 112.226 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.96 -120.51 4.5 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.346 -0.701 . . . . 1.43 111.346 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -60.64 112.73 6.06 Favored Pre-proline 0 C--O 1.231 0.116 0 N-CA-C 106.111 -1.811 . . . . 3.7 106.111 166.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 66.8 Cg_endo -75.13 39.78 0.62 Allowed 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 115.155 1.175 . . . . 2.64 115.155 -153.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.59 2.82 5.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.98 2.173 . . . . 2.56 113.472 -147.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.735 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 11.9 t -157.82 173.1 17.32 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 123.158 0.583 . . . . 1.4 111.145 -168.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.37 118.41 30.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.382 -0.969 . . . . 0.73 108.382 158.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -82.74 -176.81 6.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.644 -0.822 . . . . 2.37 109.088 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' A' ' 63' ' ' MET . 35.7 tt0 -51.93 -45.69 64.41 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.5 -0.318 . . . . 1.42 111.757 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -40.2 48.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.671 -0.776 . . . . 0.44 112.415 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.6 -40.18 76.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.71 -0.245 . . . . 2.0 110.725 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.87 -46.2 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 1.47 110.912 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HA ' HG21 ' A' ' 59' ' ' ILE . 59.6 mtpt -57.78 -46.48 84.52 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.362 -0.381 . . . . 1.38 110.683 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 41.1 tt0 -62.11 -45.85 91.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 1.74 110.819 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.0 tm? -51.72 -53.64 37.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 1.43 110.207 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 95.9 t -64.4 -37.49 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.36 0.6 . . . . 0.4 110.536 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.614 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.9 ttm180 -67.89 -29.23 68.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.649 -0.705 . . . . 3.25 111.631 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -98.46 -53.53 3.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.309 0.485 . . . . 2.33 112.309 -175.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' B' ' 8' ' ' LEU . 1.7 m-20 -95.92 -41.19 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.698 0.629 . . . . 1.88 112.698 -172.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 72.1 mt -88.0 1.96 52.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.44 110.41 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.4 pt20 -52.06 -21.6 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.023 -0.99 . . . . 1.46 111.775 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 2.2 p30 -97.56 -49.68 4.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.162 -0.472 . . . . 2.14 111.284 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 86' ' ' LEU . 1.5 m-30 -69.86 -35.25 74.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.457 0.646 . . . . 1.91 110.751 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.3 22.71 15.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.742 -0.663 . . . . 0.61 109.79 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 11.1 ptmt -48.8 -42.51 36.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.899 0.703 . . . . 2.16 112.899 -174.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HD2' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -62.61 -36.76 83.78 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.651 0.739 . . . . 1.25 110.098 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.4 tt0 -75.19 -32.75 61.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.704 -1.134 . . . . 2.13 110.064 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.614 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 25.8 t-20 -65.78 -16.77 64.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.117 -0.947 . . . . 1.7 111.286 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -80.86 -13.99 58.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 3.34 110.247 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -125.58 145.35 50.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.749 -0.463 . . . . 1.92 109.749 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -89.23 -33.53 16.96 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.922 0.392 . . . . 2.46 110.558 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.95 -30.04 70.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 2.5 111.725 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 11.7 t -68.86 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.66 109.53 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 38' ' ' LYS . 58.1 mt -66.95 -37.81 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.337 -0.847 . . . . 1.05 110.013 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.14 -35.4 73.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.034 -0.53 . . . . 1.86 110.887 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -63.06 -49.06 76.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.447 -0.342 . . . . 1.87 110.118 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' A' ' 66' ' ' LEU . 54.0 mt -65.86 -34.49 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.532 0.682 . . . . 1.18 110.314 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -52.88 -50.87 62.97 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.808 -1.542 . . . . 1.05 110.361 176.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 67' ' ' ASP . 34.0 tt0 -112.71 -28.72 7.68 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 115.399 -2.521 . . . . 2.37 110.431 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.87 -39.4 81.25 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.922 -0.486 . . . . 1.93 111.392 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 62' ' ' ILE . 10.9 mp -77.02 -15.97 59.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.805 0.336 . . . . 1.26 111.322 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB3' ' O ' ' A' ' 64' ' ' GLU . 7.7 t70 -68.5 78.37 0.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.295 1.045 . . . . 1.39 109.887 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.0 p -69.06 -27.89 66.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.121 -1.399 . . . . 1.98 111.44 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.5 -0.7 56.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.72 . . . . 2.25 109.709 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.512 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . . . 56.61 41.72 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.681 -1.145 . . . . 1.15 113.454 166.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.34 10.79 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.865 0.364 . . . . 1.95 110.635 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER 63.63 38.9 9.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.962 0.887 . . . . 1.64 108.826 -176.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.735 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 26.6 mt-30 -143.21 166.57 24.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.863 -1.517 . . . . 1.59 108.528 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 73' ' ' GLN . 50.9 mt -129.67 113.13 14.39 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.474 -0.491 . . . . 0.7 110.49 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -76.16 170.42 16.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.301 -0.863 . . . . 1.42 108.983 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 3.9 m-85 -49.74 -44.65 48.7 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.168 0.293 . . . . 3.07 111.216 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . 43.5 mt-10 -67.86 -33.67 75.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.964 0.411 . . . . 2.03 111.708 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 81' ' ' MET . 32.1 mt-10 -76.15 -47.49 24.09 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.284 0.564 . . . . 3.18 110.42 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 2.4 p90 -71.39 -26.76 62.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 119.039 -1.064 . . . . 3.12 110.446 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.774 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.2 tp -65.8 -40.09 86.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.182 -0.607 . . . . 2.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.0 ptp -63.92 -26.23 68.5 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.627 -0.429 . . . . 2.01 110.497 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.2 tm? -57.86 -43.37 85.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.136 -0.69 . . . . 1.38 109.136 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.4 -24.87 68.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.984 -0.553 . . . . 0.91 111.501 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.775 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -76.59 -38.25 55.14 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.897 0.38 . . . . 0.35 110.506 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' MET . 22.3 mtp-105 -59.34 -42.79 92.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.996 0.903 . . . . 1.67 108.714 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.6 tp -72.29 -26.54 62.01 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 114.43 -1.259 . . . . 1.68 110.136 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.408 ' HA ' HD13 ' B' ' 16' ' ' ILE . 26.0 m -65.67 -36.24 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.591 -0.277 . . . . 0.48 110.499 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 91.2 t90 -66.48 -37.62 85.51 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.412 -0.588 . . . . 3.49 109.412 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.85 89.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.563 . . . . 1.18 110.796 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.497 ' HB2' HD13 ' B' ' 16' ' ' ILE . 18.1 m -73.75 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.182 -0.463 . . . . 1.74 110.611 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.6 t-80 -67.8 -36.02 79.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.015 -0.735 . . . . 3.33 109.015 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.9 mm-40 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 114.778 -1.101 . . . . 3.3 110.489 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.606 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 40.4 mtp . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 112.489 0.551 . . . . 2.68 112.489 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.59 175.79 5.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.558 . . . . 1.22 109.837 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -64.22 -47.97 77.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.781 0.324 . . . . 2.47 110.902 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB ' ' A' ' 18' ' ' THR . 33.2 mt -69.4 -41.34 76.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.08 -0.509 . . . . 1.81 111.372 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.53 ' OE1' ' HG2' ' B' ' 5' ' ' MET . 2.8 tm-20 -63.56 -50.08 70.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 123.201 0.313 . . . . 2.28 110.679 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -55.98 -42.56 76.51 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.208 0.528 . . . . 3.54 110.515 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.571 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 2.6 m120 -62.17 -39.21 91.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.7 111.565 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.634 HG13 ' O ' ' B' ' 8' ' ' LEU . 66.4 mt -67.9 -47.25 79.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.33 109.964 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -57.98 -44.17 86.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 1.95 110.21 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.559 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 52.1 m -59.29 -40.87 87.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.263 -0.426 . . . . 0.44 110.554 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.714 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.0 mt -65.64 -49.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.42 110.728 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 90' ' ' SER . 96.9 mt -54.26 -52.84 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.55 -0.75 . . . . 0.42 111.667 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.442 HD21 ' HA ' ' B' ' 14' ' ' THR . 9.9 p30 -70.45 -32.9 70.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.385 -0.526 . . . . 1.76 112.187 -175.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.746 ' HB ' HD21 ' A' ' 8' ' ' LEU . 8.9 m -75.94 -47.51 24.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.387 -0.525 . . . . 0.8 110.351 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 2.5 m-85 -53.46 -41.15 65.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.298 -0.63 . . . . 3.66 109.298 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 35.5 m170 -69.45 -21.69 63.7 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.417 -0.811 . . . . 2.83 112.94 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' B' ' 18' ' ' THR . 8.7 pt20 -69.05 -31.72 70.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.982 0.81 . . . . 1.45 108.898 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.544 ' CD2' HD23 ' B' ' 40' ' ' LEU . 93.6 m-85 -77.7 -30.7 51.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 1.4 109.903 173.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' B' ' 31' ' ' THR . 2.4 m -76.62 -29.84 56.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.541 0.686 . . . . 1.04 111.189 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.527 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -77.92 -3.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 0.69 111.497 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.21 -23.7 67.4 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 2.17 110.606 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -88.68 -6.91 57.15 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.156 -0.474 . . . . 2.04 112.178 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.6 -121.45 4.86 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 110.99 -0.844 . . . . 1.43 110.99 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -59.45 112.46 5.25 Favored Pre-proline 0 C--O 1.232 0.137 0 N-CA-C 106.374 -1.713 . . . . 3.7 106.374 166.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.527 ' HB3' ' CA ' ' B' ' 24' ' ' VAL . 65.0 Cg_endo -75.23 39.76 0.63 Allowed 'Trans proline' 0 CA--C 1.517 -0.334 0 N-CA-C 115.258 1.215 . . . . 2.64 115.258 -153.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.71 3.0 5.55 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 121.995 2.179 . . . . 2.56 113.337 -147.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.728 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 12.0 t -157.82 173.18 17.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.164 0.586 . . . . 1.4 111.175 -168.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.51 118.38 30.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.318 -0.993 . . . . 0.73 108.318 158.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.69 -176.77 6.44 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.763 -0.775 . . . . 2.37 109.068 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' B' ' 63' ' ' MET . 35.4 tt0 -51.83 -46.01 64.17 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.46 -0.336 . . . . 1.42 111.75 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.6 -40.09 47.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.68 -0.772 . . . . 0.44 112.297 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.64 -39.89 76.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.654 0.264 . . . . 2.01 110.755 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.97 -46.15 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.385 . . . . 1.47 110.952 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.41 ' HA ' HG21 ' B' ' 59' ' ' ILE . 59.3 mtpt -57.74 -46.7 84.11 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.305 -0.407 . . . . 1.39 110.707 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 41.7 tt0 -61.86 -45.72 92.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.053 -0.521 . . . . 1.75 110.89 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.0 tm? -51.92 -53.66 38.44 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.87 0.367 . . . . 1.43 110.201 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 96.8 t -64.29 -37.45 79.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.358 0.599 . . . . 0.4 110.612 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.626 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 39.7 ttm180 -68.15 -28.8 67.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 3.25 111.723 -174.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -98.61 -53.37 3.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.373 0.509 . . . . 2.33 112.373 -175.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' A' ' 8' ' ' LEU . 1.8 m-20 -96.17 -41.2 8.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.755 0.65 . . . . 1.87 112.755 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 73.0 mt -87.84 1.93 52.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.44 110.512 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.4 pt20 -52.11 -21.67 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.0 -1.0 . . . . 1.46 111.805 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.57 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 2.2 p30 -97.32 -49.64 4.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 2.14 111.343 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' B' ' 86' ' ' LEU . 1.5 m-30 -69.9 -35.56 74.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.457 0.646 . . . . 1.92 110.675 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -108.97 22.75 15.5 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.722 -0.672 . . . . 0.61 109.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 11.0 ptmt -48.8 -42.78 37.01 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.878 0.696 . . . . 2.15 112.878 -174.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.598 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -62.52 -36.65 83.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.67 0.748 . . . . 1.25 110.094 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.3 tt0 -75.27 -32.74 61.13 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.701 -1.136 . . . . 2.13 109.975 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 25.3 t-20 -65.77 -16.8 64.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.127 -0.942 . . . . 1.7 111.179 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -81.09 -13.22 58.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 3.34 110.254 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -126.12 145.51 50.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.722 -0.473 . . . . 1.92 109.722 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.5 -33.45 16.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.839 0.352 . . . . 2.46 110.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.0 -29.77 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.804 -0.634 . . . . 2.5 111.672 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 11.7 t -68.97 -41.44 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.66 109.631 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.41 HG21 ' HA ' ' B' ' 38' ' ' LYS . 57.4 mt -67.03 -37.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.245 -0.889 . . . . 1.05 110.014 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.17 -35.09 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.026 -0.534 . . . . 1.85 110.823 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -63.28 -49.31 74.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.114 -0.328 . . . . 1.87 110.114 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' B' ' 66' ' ' LEU . 53.8 mt -65.81 -34.38 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.536 0.684 . . . . 1.18 110.408 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -52.84 -50.83 62.94 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 113.839 -1.528 . . . . 1.05 110.389 176.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' B' ' 67' ' ' ASP . 34.0 tt0 -112.6 -29.03 7.6 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 115.404 -2.518 . . . . 2.36 110.323 -167.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.74 -39.41 80.84 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.405 -0.518 . . . . 1.93 111.283 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' B' ' 62' ' ' ILE . 10.9 mp -77.28 -15.63 59.35 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.887 0.375 . . . . 1.26 111.227 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' B' ' 64' ' ' GLU . 7.4 t70 -68.53 78.08 0.28 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.272 1.034 . . . . 1.4 109.946 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 61.0 p -68.95 -28.24 66.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.19 -1.368 . . . . 1.98 111.306 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -86.19 -0.8 56.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.672 -0.695 . . . . 2.25 109.668 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.515 ' HA ' ' OD2' ' B' ' 67' ' ' ASP . . . 56.92 41.42 27.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.679 -1.146 . . . . 1.14 113.499 167.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.16 10.98 14.0 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.91 -0.316 . . . . 1.95 110.66 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.7 OUTLIER 63.9 38.16 9.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.849 0.833 . . . . 1.64 108.909 -176.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.728 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.6 mt-30 -142.79 166.5 24.47 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.06 -1.427 . . . . 1.59 108.552 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 ' O ' ' B' ' 73' ' ' GLN . 50.4 mt -129.7 113.3 14.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.187 0.518 . . . . 0.7 110.498 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.6 t -76.11 170.33 16.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.147 -0.933 . . . . 1.41 109.105 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.752 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 3.9 m-85 -49.63 -44.54 47.47 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.207 0.317 . . . . 3.06 111.148 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.609 ' O ' HG22 ' B' ' 80' ' ' ILE . 43.9 mt-10 -67.98 -33.64 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 2.04 111.768 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 81' ' ' MET . 32.2 mt-10 -76.34 -47.33 23.88 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.252 0.549 . . . . 3.18 110.367 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.752 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 2.3 p90 -71.4 -26.79 62.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 118.955 -1.098 . . . . 3.12 110.551 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.2 tp -65.84 -40.12 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.17 -0.612 . . . . 2.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 24.0 ptp -63.98 -26.07 68.41 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.549 -0.46 . . . . 2.01 110.43 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.622 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.2 tm? -57.87 -43.37 85.97 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.202 -0.666 . . . . 1.38 109.202 171.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.46 -24.87 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.91 111.396 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -76.58 -38.2 55.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.875 0.369 . . . . 0.35 110.554 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' B' ' 81' ' ' MET . 22.9 mtp-105 -59.52 -42.67 92.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.062 0.934 . . . . 1.67 108.682 175.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 48' ' ' PHE . 21.5 tp -72.24 -26.59 62.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.405 -1.27 . . . . 1.68 110.106 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -36.26 83.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.549 -0.296 . . . . 0.48 110.535 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.59 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 91.1 t90 -66.48 -37.45 85.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.438 -0.578 . . . . 3.49 109.438 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.96 89.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 1.18 110.775 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.493 ' HB2' HD13 ' A' ' 16' ' ' ILE . 18.4 m -73.77 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.089 -0.505 . . . . 1.74 110.713 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.7 t-80 -67.81 -35.81 79.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.987 -0.745 . . . . 3.33 108.987 172.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 11.6 mm-40 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 114.785 -1.098 . . . . 3.29 110.396 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.479 ' HE1' ' HB2' ' A' ' 13' ' ' GLU . 2.0 ttt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.902 0.382 . . . . 2.68 110.747 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -87.38 174.86 8.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 1.22 110.073 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.66 -46.58 86.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.47 110.862 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CD1' ' HA ' ' B' ' 15' ' ' ILE . 3.9 mm? -64.73 -45.53 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 1.81 110.666 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 71.5 mt-10 -61.61 -46.58 89.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.316 -0.402 . . . . 2.29 111.141 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -59.4 -37.94 79.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.797 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.71 -45.25 83.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.336 . . . . 1.71 110.357 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -60.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.32 110.682 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 5' ' ' MET . 1.6 tm-20 -62.63 -36.89 84.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.698 -0.228 . . . . 1.95 110.546 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.8 m -64.61 -37.02 86.14 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.156 0.503 . . . . 0.44 110.545 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.612 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 44.0 mt -70.13 -44.55 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.42 109.883 175.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 85.2 mt -57.77 -40.07 73.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.518 -0.765 . . . . 0.42 110.627 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 12.6 m120 -67.29 -45.96 75.03 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.855 0.317 . . . . 1.76 111.855 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.3 m -63.73 -47.75 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.506 0.67 . . . . 0.8 109.848 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CD2' HD11 ' A' ' 32' ' ' LEU . 2.0 m-85 -64.07 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 3.66 109.415 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 7.1 t60 -58.65 -50.73 72.79 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.394 0.678 . . . . 2.82 111.392 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 18' ' ' THR . 27.4 pt20 -62.35 -34.45 76.67 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.606 -0.438 . . . . 1.45 111.285 -176.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -80.21 -31.05 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.279 -0.569 . . . . 1.4 111.724 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.73 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 24.3 p -78.91 -33.13 45.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.379 0.609 . . . . 1.04 110.663 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' A' ' 29' ' ' PRO . 4.3 p -72.01 -4.4 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.485 -0.779 . . . . 0.69 111.029 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 9.1 mtpm? -64.86 -28.61 69.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.851 -0.613 . . . . 2.17 109.853 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -91.43 12.51 20.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.025 -0.534 . . . . 2.04 111.811 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.63 -129.05 9.72 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.772 -0.728 . . . . 1.43 111.683 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -59.36 112.04 4.62 Favored Pre-proline 0 CA--C 1.516 -0.358 0 N-CA-C 106.447 -1.686 . . . . 3.7 106.447 168.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 23' ' ' SER . 57.0 Cg_endo -75.42 37.96 0.53 Allowed 'Trans proline' 0 C--O 1.222 -0.277 0 N-CA-C 116.077 1.529 . . . . 2.64 116.077 -149.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.13 6.21 2.31 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 123.118 2.69 . . . . 2.56 114.54 -150.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -156.27 157.45 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.075 0.55 . . . . 1.4 111.697 -175.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 19' ' ' PHE . 87.9 mt -100.52 120.89 40.69 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 0.73 108.362 161.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 4.0 m-20 -81.77 169.86 16.41 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.86 -0.736 . . . . 2.37 109.964 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -52.09 -39.71 60.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.063 0.394 . . . . 1.42 112.063 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.7 -39.0 49.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.44 111.715 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 7.4 mp0 -65.0 -42.06 94.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.353 -0.423 . . . . 2.0 110.464 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.56 -47.23 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.949 -0.569 . . . . 1.47 110.905 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 97.4 mttt -55.15 -48.43 73.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.38 110.452 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.522 ' HG2' ' CE ' ' A' ' 43' ' ' LYS . 29.1 tt0 -64.33 -41.58 96.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 1.74 110.673 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.91 -53.62 56.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 1.43 110.015 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 92.0 t -58.19 -38.47 68.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.4 111.212 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 95.3 mtt180 -67.83 -29.65 68.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.924 0.713 . . . . 3.25 112.924 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.6 mtmp? -110.74 -36.09 5.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.522 0.564 . . . . 2.33 112.522 -174.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 9.0 m-20 -105.45 -31.52 8.97 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.967 -0.293 . . . . 1.88 111.541 -170.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 86.5 mt -101.36 5.53 42.26 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.758 0.423 . . . . 0.44 110.912 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 28.6 pt20 -51.04 -22.11 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.46 112.747 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.661 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 35.1 m-80 -97.55 -48.65 5.18 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.454 -0.573 . . . . 2.14 109.454 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -36.42 83.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.734 0.778 . . . . 1.91 109.709 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 HD12 HG13 ' A' ' 41' ' ' VAL . 81.2 mt -112.21 22.66 14.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.332 -0.849 . . . . 0.61 110.892 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.661 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -43.0 22.5 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.208 0.317 . . . . 2.16 111.538 -175.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.638 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 1.6 mppt? -61.05 -47.48 86.2 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 122.567 1.175 . . . . 1.25 109.562 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 112.656 -2.065 . . . . 2.13 110.994 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.501 ' OD1' ' HG2' ' A' ' 42' ' ' ARG . 46.1 t30 -69.33 -17.02 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.371 0.605 . . . . 1.7 110.932 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -81.87 -5.11 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 3.34 110.085 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' OD1' ' HD3' ' A' ' 57' ' ' LYS . 35.7 t30 -127.61 147.1 50.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 1.92 109.794 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.5 mt-10 -86.83 -44.49 11.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 2.46 111.658 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.62 -29.27 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.882 -170.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.7 m -69.47 -39.72 78.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.66 111.132 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.421 HD12 HG11 ' A' ' 41' ' ' VAL . 30.6 mm -64.25 -37.42 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.462 -0.57 . . . . 1.05 109.462 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt-10 -65.84 -35.18 79.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.519 -0.764 . . . . 1.86 110.509 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.87 -48.45 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.09 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 58' ' ' VAL . 47.4 mm -58.55 -36.86 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.739 0.78 . . . . 1.18 109.953 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.508 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 14.1 tpt -62.08 -50.35 72.3 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-N 113.688 -1.596 . . . . 1.05 111.387 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 30.6 tt0 -102.45 -28.0 12.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 114.238 -2.985 . . . . 2.37 108.806 -161.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.17 -38.86 71.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.352 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.0 -22.87 36.3 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.101 0.408 . . . . 1.26 112.101 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' OD2' ' HE3' ' A' ' 72' ' ' LYS . 17.3 t0 -66.5 78.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.621 0.724 . . . . 1.39 110.795 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.8 -21.38 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.156 -0.929 . . . . 1.98 110.157 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.64 -4.8 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 2.25 109.438 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.81 25.3 3.78 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.602 -1.181 . . . . 1.15 113.756 168.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -119.95 20.59 12.13 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.75 0.31 . . . . 1.95 111.203 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 64.04 39.68 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.531 -0.759 . . . . 1.64 109.399 -177.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.635 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 25.8 mt-30 -138.5 141.32 39.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.569 -1.196 . . . . 1.59 109.493 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.508 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 54.7 mt -115.08 114.25 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.713 -0.477 . . . . 0.7 109.713 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.412 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 35.5 t -76.14 171.15 14.97 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.73 -0.841 . . . . 1.42 108.73 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 9.1 p90 -50.46 -39.26 47.37 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.318 0.488 . . . . 3.07 112.318 -174.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.519 ' O ' HG22 ' A' ' 80' ' ' ILE . 53.0 mt-10 -75.05 -32.52 61.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.067 0.395 . . . . 2.03 112.067 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.7 mp0 -73.28 -45.98 52.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.08 -0.387 . . . . 3.18 110.805 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 1.8 p90 -72.97 -26.34 61.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.769 -0.772 . . . . 3.12 110.927 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.84 -37.81 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.52 -0.472 . . . . 2.0 109.871 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.5 ttt -57.32 -30.31 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.271 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.4 tm? -65.69 -40.04 91.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.779 -0.452 . . . . 1.38 109.779 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.31 -30.59 68.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.218 0.532 . . . . 0.91 109.647 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.35 -38.02 65.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.35 110.639 177.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -62.93 -32.91 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.402 0.62 . . . . 1.67 109.338 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 40.6 mt -70.86 -33.64 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 1.68 109.951 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.7 m -65.92 -41.05 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.358 0.599 . . . . 0.48 110.079 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.621 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.5 t-105 -65.44 -35.95 82.44 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.52 -0.764 . . . . 3.49 109.448 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.53 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 1.18 110.814 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.3 t -69.09 -36.62 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.047 0.451 . . . . 1.74 109.803 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -62.81 -36.16 82.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 3.33 110.063 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.1 mm-40 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.464 -0.789 . . . . 3.3 111.286 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.469 ' HE1' ' HB2' ' B' ' 13' ' ' GLU . 2.0 ttt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.876 0.369 . . . . 2.68 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -86.95 174.73 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 1.22 110.117 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.43 -46.49 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 2.47 110.909 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.612 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 3.9 mm? -64.81 -45.61 85.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.591 . . . . 1.81 110.645 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' B' ' 5' ' ' MET . 71.8 mt-10 -61.46 -46.58 89.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.269 -0.423 . . . . 2.28 111.083 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -59.55 -37.83 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.802 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.79 -45.32 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 1.7 110.347 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 79.2 mt -60.52 -47.93 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.33 110.757 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' HE1' ' B' ' 5' ' ' MET . 1.6 tm-20 -62.49 -36.9 83.96 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.721 -0.218 . . . . 1.95 110.644 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -36.9 85.81 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.479 . . . . 0.44 110.584 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 44.1 mt -69.98 -44.59 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.42 109.938 174.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 85.6 mt -57.69 -40.37 75.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 115.468 -0.787 . . . . 0.42 110.593 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 12.4 m120 -66.94 -46.08 75.84 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.832 0.308 . . . . 1.76 111.832 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 31.5 m -63.59 -48.0 79.16 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.513 0.673 . . . . 0.8 109.9 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' B' ' 32' ' ' LEU . 2.0 m-85 -64.0 -33.88 76.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.482 -0.781 . . . . 3.66 109.502 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 16' ' ' ILE . 7.0 t60 -58.85 -50.83 72.53 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.402 0.681 . . . . 2.83 111.305 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' B' ' 18' ' ' THR . 27.5 pt20 -62.2 -34.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.645 -0.422 . . . . 1.45 111.343 -176.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -80.19 -30.94 38.79 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.32 -0.552 . . . . 1.4 111.761 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.724 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.9 p -78.91 -33.49 45.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.365 0.603 . . . . 1.04 110.635 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 4.3 p -71.54 -4.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.525 -0.761 . . . . 0.69 111.169 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 9.1 mtpm? -64.59 -29.04 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.895 -0.593 . . . . 2.17 109.847 176.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 26' ' ' LEU . 2.9 mm? -90.94 12.39 19.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 2.04 111.779 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 -129.12 9.74 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.69 -0.767 . . . . 1.43 111.743 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -59.33 112.38 5.09 Favored Pre-proline 0 CA--C 1.517 -0.317 0 N-CA-C 106.42 -1.696 . . . . 3.7 106.42 168.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' B' ' 23' ' ' SER . 55.8 Cg_endo -75.65 38.24 0.56 Allowed 'Trans proline' 0 C--O 1.223 -0.267 0 N-CA-C 116.21 1.581 . . . . 2.64 116.21 -150.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.35 6.02 2.55 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 123.135 2.698 . . . . 2.56 114.504 -149.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.633 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -156.22 157.21 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.137 0.575 . . . . 1.4 111.777 -175.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' B' ' 19' ' ' PHE . 86.3 mt -100.1 120.92 40.6 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.5 -0.926 . . . . 0.73 108.5 161.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 3.8 m-20 -81.79 169.54 16.78 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.895 -0.722 . . . . 2.37 109.961 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.65 -40.17 59.48 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.985 0.365 . . . . 1.42 111.985 -171.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.29 -38.85 53.12 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.737 -0.744 . . . . 0.44 111.808 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 7.6 mp0 -65.39 -42.07 93.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.368 -0.416 . . . . 2.01 110.408 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 1.47 110.967 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 97.3 mttt -55.02 -48.76 72.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.299 -0.41 . . . . 1.39 110.428 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.513 ' HG2' ' CE ' ' B' ' 43' ' ' LYS . 28.7 tt0 -63.99 -41.62 97.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 1.75 110.765 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.93 -53.69 55.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.902 -0.407 . . . . 1.43 109.902 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.2 t -58.2 -38.38 67.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.4 111.172 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 95.5 mtt180 -67.9 -29.63 68.77 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.954 0.724 . . . . 3.25 112.954 -173.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.513 ' CE ' ' HG2' ' B' ' 39' ' ' GLU . 5.6 mtmp? -110.61 -36.09 5.83 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.349 0.499 . . . . 2.33 112.349 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 8.6 m-20 -105.48 -31.33 9.04 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.932 -0.307 . . . . 1.87 111.522 -170.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 86.6 mt -101.5 5.52 41.92 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.363 0.414 . . . . 0.44 110.794 173.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 28.5 pt20 -50.93 -22.18 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.371 -0.832 . . . . 1.46 112.767 -174.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.672 ' O ' ' HD2' ' B' ' 50' ' ' LYS . 35.0 m-80 -97.58 -48.75 5.13 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.394 -0.595 . . . . 2.14 109.394 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -36.32 82.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.788 0.804 . . . . 1.92 109.74 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.492 HD12 HG13 ' B' ' 41' ' ' VAL . 81.0 mt -112.31 22.68 14.46 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.36 -0.837 . . . . 0.61 110.817 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.672 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -42.97 22.46 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.233 0.333 . . . . 2.15 111.51 -175.676 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.646 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 1.6 mppt? -61.2 -47.24 87.03 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.669 1.223 . . . . 1.25 109.62 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.6 -31.88 63.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 112.658 -2.065 . . . . 2.13 110.939 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' B' ' 42' ' ' ARG . 45.4 t30 -69.16 -17.06 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 1.7 110.864 -173.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -81.85 -5.0 57.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.041 -0.527 . . . . 3.34 110.156 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' B' ' 57' ' ' LYS . 35.9 t30 -127.85 147.27 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.641 -0.503 . . . . 1.92 109.641 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 38.5 mt-10 -87.11 -44.39 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 2.46 111.588 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -64.73 -29.25 70.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.8 -170.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.477 ' O ' HG12 ' B' ' 62' ' ' ILE . 1.6 m -69.52 -39.84 78.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.145 -0.479 . . . . 0.66 111.056 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.43 HD12 HG11 ' B' ' 41' ' ' VAL . 30.7 mm -64.15 -37.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.395 -0.595 . . . . 1.05 109.395 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 27.5 mt-10 -65.86 -35.28 80.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.548 -0.751 . . . . 1.85 110.597 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.74 -48.42 71.96 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.87 110.053 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 58' ' ' VAL . 47.3 mm -58.57 -36.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.657 0.741 . . . . 1.18 109.958 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.495 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 14.1 tpt -62.35 -49.98 73.42 Favored 'General case' 0 N--CA 1.42 -1.943 0 CA-C-N 113.641 -1.618 . . . . 1.05 111.379 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 30.3 tt0 -102.81 -27.88 12.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 114.342 -2.943 . . . . 2.36 108.816 -161.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.09 -39.32 71.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.331 -0.395 . . . . 1.93 110.342 169.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -81.74 -22.72 37.12 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.094 0.405 . . . . 1.26 112.094 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.515 ' OD2' ' HE3' ' B' ' 72' ' ' LYS . 16.9 t0 -66.76 78.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.713 0.768 . . . . 1.4 110.804 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.17 -21.65 64.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.161 -0.927 . . . . 1.98 110.09 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -86.61 -4.64 59.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 2.25 109.336 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.68 25.51 3.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.723 -1.126 . . . . 1.14 113.792 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.01 20.08 12.2 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.748 0.309 . . . . 1.95 111.131 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.515 ' HE3' ' OD2' ' B' ' 67' ' ' ASP . 0.0 OUTLIER 64.63 39.29 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.566 -0.743 . . . . 1.64 109.482 -177.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.633 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.0 mt-30 -138.37 141.38 39.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.632 -1.167 . . . . 1.59 109.359 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.495 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 54.8 mt -115.13 114.18 24.96 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.643 -0.503 . . . . 0.7 109.643 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -76.48 171.32 14.8 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.717 -0.845 . . . . 1.41 108.717 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.703 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 9.4 p90 -50.46 -39.37 47.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.338 0.495 . . . . 3.06 112.338 -174.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.525 ' O ' HG22 ' B' ' 80' ' ' ILE . 55.3 mt-10 -75.04 -32.63 61.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.033 0.382 . . . . 2.04 112.033 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.17 -45.74 54.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.82 -0.352 . . . . 3.18 110.871 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 1.7 p90 -73.11 -26.27 61.18 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 119.663 -0.815 . . . . 3.12 110.823 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.9 -37.83 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.469 -0.492 . . . . 2.0 109.802 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 21.7 ttt -57.31 -30.34 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 2.01 110.255 172.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.4 tm? -65.57 -40.05 92.33 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.771 -0.455 . . . . 1.38 109.771 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.35 -30.69 68.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.579 -0.526 . . . . 0.91 109.579 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.35 -37.9 65.93 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.64 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.8 mtp180 -63.08 -32.57 73.97 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.357 -0.608 . . . . 1.67 109.357 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 41.4 mt -71.09 -33.77 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.771 . . . . 1.68 109.908 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 55.2 m -65.82 -40.92 92.28 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.328 0.585 . . . . 0.48 110.145 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.632 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.5 t-105 -65.41 -35.91 82.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.517 -0.765 . . . . 3.49 109.374 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.51 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.679 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 33.4 t -69.15 -36.49 77.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 1.74 109.893 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.8 -35.87 81.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 3.33 110.109 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 12.0 mm-40 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.444 -0.798 . . . . 3.29 111.308 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.514 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 32.3 mtt . . . . . 0 C--O 1.235 0.317 0 N-CA-C 112.987 0.736 . . . . 2.68 112.987 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -75.54 176.21 7.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.367 -1.288 . . . . 1.22 109.411 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.76 -45.38 82.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 2.47 110.216 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 tp -62.56 -46.04 90.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.54 -0.755 . . . . 1.81 110.992 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 84.7 mt-10 -64.81 -49.7 69.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.191 -0.459 . . . . 2.29 111.975 -174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 10' ' ' ARG . 56.2 mtt180 -60.99 -34.44 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.986 0.422 . . . . 3.54 110.365 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -68.96 -41.29 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.739 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 8' ' ' LEU . 64.6 mt -62.48 -47.18 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.32 109.734 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -58.43 -40.46 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.595 -0.729 . . . . 1.95 110.177 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -68.6 -39.54 80.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.433 -0.349 . . . . 0.44 111.222 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' B' ' 15' ' ' ILE . 43.4 mt -62.49 -44.04 98.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.286 0.565 . . . . 0.42 109.938 174.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.71 -38.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.42 110.044 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.15 -41.11 86.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.606 -0.724 . . . . 1.76 110.451 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 22' ' ' TYR . 43.4 m -62.3 -50.26 72.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.118 0.485 . . . . 0.8 110.148 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.62 -47.32 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 3.66 109.282 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.15 -46.35 82.81 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.837 -1.074 . . . . 2.82 112.368 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -66.49 -35.63 80.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.68 -0.408 . . . . 1.45 111.229 -175.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 90.0 m-85 -78.52 -32.82 48.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.446 -0.502 . . . . 1.4 110.67 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.678 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 25.5 p -78.89 -35.66 43.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.379 0.609 . . . . 1.04 111.013 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 4.8 p -71.49 -5.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.51 -0.768 . . . . 0.69 111.072 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 49.8 mttp -62.5 -23.01 66.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.511 -0.768 . . . . 2.17 109.753 172.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.68 -5.6 41.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.969 -0.56 . . . . 2.04 112.222 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.89 -123.76 6.01 Favored Glycine 0 N--CA 1.463 0.439 0 C-N-CA 120.953 -0.641 . . . . 1.43 111.609 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -63.35 105.15 0.6 Allowed Pre-proline 0 CA--C 1.516 -0.341 0 N-CA-C 106.438 -1.69 . . . . 3.7 106.438 167.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.678 ' O ' ' HB2' ' A' ' 23' ' ' SER . 36.8 Cg_endo -76.83 48.24 2.4 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 N-CA-C 115.681 1.377 . . . . 2.64 115.681 -149.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.66 -7.02 45.33 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 123.487 2.858 . . . . 2.56 112.212 -149.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.605 ' CB ' ' HB3' ' A' ' 73' ' ' GLN . 59.8 p -154.13 161.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.636 0.774 . . . . 1.4 110.419 -168.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 60.5 mt -99.59 121.48 41.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.947 -0.76 . . . . 0.73 108.947 163.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.554 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . 12.1 t-20 -79.69 163.99 24.09 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.058 -1.057 . . . . 2.37 109.168 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 24.3 tt0 -51.53 -37.83 51.25 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.1 0.407 . . . . 1.42 112.1 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.23 43.78 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.68 -0.772 . . . . 0.44 111.466 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 33' ' ' ASN . 3.9 mp0 -63.02 -44.41 96.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.503 . . . . 2.0 110.408 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.49 -44.11 83.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.034 -0.53 . . . . 1.47 111.496 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -54.21 -48.25 71.25 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.359 -0.608 . . . . 1.38 109.359 178.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE2' ' HD2' ' A' ' 42' ' ' ARG . 1.5 tp10 -62.76 -42.9 99.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.902 -1.045 . . . . 1.74 110.71 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 32' ' ' LEU . 10.2 tt -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 1.43 109.773 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 90.6 t -69.99 -37.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.049 -0.523 . . . . 0.4 111.111 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 91.5 mtt180 -61.92 -31.3 71.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.859 0.318 . . . . 3.25 111.859 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -118.51 -30.89 5.06 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.205 0.817 . . . . 2.33 113.205 -170.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 5.0 m-20 -105.98 -33.55 7.88 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.125 -0.63 . . . . 1.88 112.352 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 95.2 mt -101.6 5.02 41.45 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.996 0.426 . . . . 0.44 111.303 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 4.0 pt20 -51.6 -23.36 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.347 -0.842 . . . . 1.46 113.072 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' OE2' ' B' ' 9' ' ' GLU . 51.0 t30 -106.77 -39.02 5.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.277 0.561 . . . . 2.14 110.39 -173.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' B' ' 9' ' ' GLU . 0.1 OUTLIER -73.79 -35.71 64.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.62 0.724 . . . . 1.91 109.476 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.57 22.17 15.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.045 -0.98 . . . . 0.61 110.479 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 10.7 ptpp? -48.49 -39.69 23.96 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.246 0.341 . . . . 2.16 111.675 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 1.3 mtmp? -58.53 -42.9 88.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 1.25 110.78 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.419 -0.81 . . . . 2.13 110.333 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.528 HD21 ' HA ' ' A' ' 42' ' ' ARG . 27.4 t-20 -63.85 -16.65 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.7 111.307 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.3 mtpp -81.92 -6.38 59.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.536 . . . . 3.34 110.729 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.39 143.28 37.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.093 -0.706 . . . . 1.92 109.093 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.47 -29.33 15.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.06 0.457 . . . . 2.46 110.621 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.11 -26.61 65.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.802 -0.635 . . . . 2.5 110.529 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.73 -36.94 60.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.461 -0.57 . . . . 0.66 109.461 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 63' ' ' MET . 29.8 mm -64.75 -37.43 80.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.804 -0.634 . . . . 1.05 109.429 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.77 -35.11 80.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.86 111.054 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 22.2 m-70 -65.62 -49.29 69.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.973 -0.291 . . . . 1.87 111.12 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.65 -39.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.818 0.818 . . . . 1.18 109.087 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.81 -48.94 79.52 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 113.328 -1.76 . . . . 1.05 111.858 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 39.8 mt-10 -111.32 -29.58 7.76 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 115.371 -2.532 . . . . 2.37 110.973 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 62.7 m-20 -57.44 -33.16 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.987 -0.685 . . . . 1.93 109.711 170.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.665 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 55.5 mt -95.16 -13.26 25.18 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 112.771 0.656 . . . . 1.26 112.771 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 t0 -59.5 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.544 1.164 . . . . 1.39 110.038 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.7 -24.35 64.48 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.164 -1.835 . . . . 1.98 111.451 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -88.07 -5.08 58.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.023 -0.732 . . . . 2.25 109.023 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.44 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.761 -1.109 . . . . 1.15 112.688 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 33.8 m-20 -116.48 16.89 15.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.53 -0.304 . . . . 1.95 111.326 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.558 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.46 40.25 4.75 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.291 -1.003 . . . . 1.64 108.291 -173.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.605 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 99.0 mt-30 -142.75 138.31 30.39 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.385 -1.28 . . . . 1.59 110.129 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.684 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 14.3 mt -101.41 116.22 32.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.488 -0.323 . . . . 0.7 110.651 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 p -79.0 160.76 27.04 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.649 -0.5 . . . . 1.42 109.649 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -50.74 -36.22 35.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.701 0.286 . . . . 3.07 111.267 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.13 -30.81 63.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.889 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.684 ' OE1' ' HB3' ' A' ' 74' ' ' LEU . 8.5 tm-20 -74.39 -50.76 17.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.176 -0.609 . . . . 3.18 109.844 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HG2' ' A' ' 83' ' ' MET . 88.2 t80 -57.63 -38.45 75.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.325 0.583 . . . . 3.12 110.337 -174.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.83 HG21 ' HB2' ' B' ' 84' ' ' ALA . 1.7 tp -68.19 -45.13 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 115.534 -0.757 . . . . 2.0 109.989 178.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -36.22 73.82 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.515 0.326 . . . . 2.01 110.712 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.84 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.971 -0.752 . . . . 1.38 108.971 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 30.7 mmt -59.82 -30.93 69.26 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.701 -0.681 . . . . 0.91 110.3 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.91 -44.53 54.84 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.87 0.367 . . . . 0.35 110.714 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.05 -37.48 77.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.934 -0.765 . . . . 1.67 108.934 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.3 -31.78 64.24 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.747 -1.115 . . . . 1.68 110.475 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.6 m -63.97 -48.16 77.55 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.526 -0.47 . . . . 0.48 111.043 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -83.33 -37.52 23.28 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.993 -0.683 . . . . 3.49 110.312 -174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.45 -51.13 55.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.499 . . . . 1.18 111.073 -174.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -80.01 -44.35 20.33 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 120.005 -0.678 . . . . 1.74 111.539 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.02 -43.01 22.7 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.038 -0.528 . . . . 3.33 110.131 -166.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.436 -1.128 0 C-N-CA 119.848 -0.741 . . . . 3.3 112.477 -176.483 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.513 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 31.7 mtt . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.676 0.75 . . . . 2.68 113.01 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -75.46 176.13 7.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.51 -1.223 . . . . 1.22 109.46 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.79 -45.25 82.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.418 . . . . 2.47 110.13 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.2 tp -62.57 -46.18 89.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 1.81 110.935 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 84.2 mt-10 -64.65 -49.72 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 2.28 111.987 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -61.14 -34.39 74.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 3.54 110.218 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' B' ' 11' ' ' ASN . 10.5 m120 -68.91 -41.3 78.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 1.7 110.66 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 8' ' ' LEU . 65.3 mt -62.54 -47.2 94.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.729 -0.471 . . . . 0.33 109.729 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -58.45 -40.54 82.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.598 -0.728 . . . . 1.95 110.054 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.5 m -68.54 -39.36 81.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.461 -0.336 . . . . 0.44 111.332 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' A' ' 15' ' ' ILE . 43.7 mt -62.76 -43.73 98.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 121.261 0.553 . . . . 0.42 109.968 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.84 -38.03 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.12 -0.945 . . . . 0.42 109.999 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -67.31 -41.07 85.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.525 -0.761 . . . . 1.76 110.388 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' B' ' 22' ' ' TYR . 40.7 m -62.15 -50.33 72.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.191 0.519 . . . . 0.8 110.179 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.81 -47.18 71.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.775 -0.648 . . . . 3.66 109.284 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -57.22 -46.39 82.98 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 114.852 -1.067 . . . . 2.83 112.38 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.559 ' HG3' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -66.54 -35.53 80.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.094 0.406 . . . . 1.45 111.21 -175.286 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.559 ' N ' ' HG3' ' B' ' 21' ' ' GLN . 90.3 m-85 -78.6 -32.74 47.69 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.525 -0.47 . . . . 1.4 110.747 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.7 p -78.95 -35.72 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.352 0.596 . . . . 1.04 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.562 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 4.9 p -71.63 -5.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.73 . . . . 0.69 110.924 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 50.5 mttp -62.93 -22.85 67.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.742 . . . . 2.17 109.719 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.86 -5.14 42.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.884 -0.598 . . . . 2.04 112.227 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.95 -124.48 6.37 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 120.97 -0.633 . . . . 1.43 111.552 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -62.34 105.24 0.59 Allowed Pre-proline 0 N--CA 1.465 0.3 0 N-CA-C 106.462 -1.681 . . . . 3.7 106.462 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.671 ' O ' ' HB2' ' B' ' 23' ' ' SER . 35.5 Cg_endo -77.02 48.32 2.47 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 N-CA-C 115.699 1.384 . . . . 2.64 115.699 -149.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.82 -6.94 45.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 123.473 2.851 . . . . 2.56 112.2 -149.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.604 ' CB ' ' HB3' ' B' ' 73' ' ' GLN . 67.2 p -154.04 162.12 41.43 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.639 0.776 . . . . 1.4 110.54 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 40' ' ' LEU . 59.7 mt -99.75 121.42 41.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.959 -0.756 . . . . 0.73 108.959 163.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.567 ' HB3' ' OE2' ' B' ' 36' ' ' GLU . 11.8 t-20 -79.73 163.91 24.12 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.022 -1.071 . . . . 2.37 109.126 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' HG3' ' B' ' 63' ' ' MET . 24.0 tt0 -51.41 -37.69 49.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.987 0.366 . . . . 1.42 111.987 -172.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.09 -42.65 43.12 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.76 -0.733 . . . . 0.44 111.539 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.567 ' OE2' ' HB3' ' B' ' 33' ' ' ASN . 3.4 mp0 -62.82 -44.5 95.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.15 -0.525 . . . . 2.01 110.292 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -66.48 -44.16 83.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.47 111.497 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -54.11 -48.2 71.01 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.361 -0.607 . . . . 1.39 109.361 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' B' ' 42' ' ' ARG . 1.4 tp10 -62.92 -42.67 99.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.872 -1.058 . . . . 1.75 110.815 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 32' ' ' LEU . 10.2 tt -55.74 -46.9 77.71 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.072 -0.513 . . . . 1.43 109.706 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.6 t -70.01 -37.38 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.063 -0.517 . . . . 0.4 111.139 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 38' ' ' LYS . 91.6 mtt180 -62.01 -31.22 71.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.587 -0.278 . . . . 3.25 111.737 -174.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -118.48 -31.08 5.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.199 0.815 . . . . 2.33 113.199 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 5.5 m-20 -105.74 -33.65 7.95 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.161 -0.615 . . . . 1.87 112.345 -175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 95.3 mt -101.52 5.0 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.103 0.478 . . . . 0.44 111.399 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 4.0 pt20 -51.56 -23.19 3.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.261 -0.881 . . . . 1.46 113.087 -174.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.499 ' HB3' ' OE2' ' A' ' 9' ' ' GLU . 51.2 t30 -106.97 -39.11 5.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.193 0.521 . . . . 2.14 110.414 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.443 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -73.69 -35.71 65.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.565 0.698 . . . . 1.92 109.565 179.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.8 mt -110.61 22.26 15.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.041 -0.981 . . . . 0.61 110.608 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 10.7 ptpp? -48.54 -39.8 24.72 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.128 0.268 . . . . 2.15 111.666 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.461 ' HZ2' ' HB2' ' B' ' 51' ' ' LYS . 1.3 mtmp? -58.22 -43.23 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.298 0.57 . . . . 1.25 110.779 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.54 -33.17 64.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.495 -0.775 . . . . 2.13 110.334 175.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.529 HD21 ' HA ' ' B' ' 42' ' ' ARG . 27.2 t-20 -63.67 -16.69 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.296 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.3 mtpp -81.94 -6.25 58.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.025 -0.534 . . . . 3.34 110.822 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -139.52 143.31 37.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.075 -0.713 . . . . 1.92 109.075 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.49 -29.16 15.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 2.46 110.553 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.2 -26.74 65.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 2.5 110.579 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.64 -37.1 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.408 -0.589 . . . . 0.66 109.408 174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' B' ' 63' ' ' MET . 29.3 mm -64.49 -37.68 80.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.05 109.533 175.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.62 -34.88 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.847 -0.615 . . . . 1.85 111.065 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 22.4 m-70 -65.83 -49.39 68.39 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.984 -0.286 . . . . 1.87 111.159 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 78.3 mt -58.56 -39.19 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.794 0.807 . . . . 1.18 109.127 174.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.563 ' HB2' ' O ' ' B' ' 59' ' ' ILE . 0.0 OUTLIER -60.66 -48.87 79.87 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 113.324 -1.762 . . . . 1.05 111.828 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 40.2 mt-10 -111.56 -29.65 7.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 115.41 -2.516 . . . . 2.36 111.02 -167.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 58.9 m-20 -57.11 -33.59 67.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.978 -0.689 . . . . 1.93 109.521 170.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.662 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 55.4 mt -94.95 -13.3 25.47 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.875 0.694 . . . . 1.26 112.875 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.561 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.0 t0 -59.41 87.55 0.01 OUTLIER 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.507 1.146 . . . . 1.4 110.009 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.94 -24.17 64.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 113.158 -1.837 . . . . 1.98 111.324 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -88.04 -5.25 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.143 -0.688 . . . . 2.25 109.143 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.26 26.58 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.602 -1.181 . . . . 1.14 112.653 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 35.6 m-20 -116.55 17.16 15.45 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.496 -0.32 . . . . 1.95 111.347 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.561 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.18 40.32 5.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.288 -1.005 . . . . 1.64 108.288 -174.076 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.604 ' HB3' ' CB ' ' B' ' 31' ' ' THR . 99.0 mt-30 -142.85 138.39 30.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.291 -1.322 . . . . 1.59 110.089 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.701 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 14.3 mt -101.57 116.05 31.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.332 -0.394 . . . . 0.7 110.594 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -78.93 160.82 27.08 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 109.679 -0.489 . . . . 1.41 109.679 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -50.67 -36.34 35.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.694 0.283 . . . . 3.06 111.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.34 -30.35 63.27 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.535 -0.302 . . . . 2.04 110.944 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.701 ' OE1' ' HB3' ' B' ' 74' ' ' LEU . 8.5 tm-20 -74.59 -50.82 16.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.171 -0.612 . . . . 3.18 109.838 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 83' ' ' MET . 88.3 t80 -57.64 -38.66 75.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.308 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.825 HG21 ' HB2' ' A' ' 84' ' ' ALA . 1.7 tp -68.1 -45.15 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.613 -0.721 . . . . 2.0 109.949 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -36.25 73.58 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.921 0.391 . . . . 2.01 110.767 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.87 -38.18 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.763 . . . . 1.38 108.941 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 30.7 mmt -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.736 -0.666 . . . . 0.91 110.288 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.83 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.92 -44.64 54.45 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.868 0.366 . . . . 0.35 110.722 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' B' ' 85' ' ' ARG . 46.8 mtt180 -59.03 -37.39 76.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.92 -0.77 . . . . 1.67 108.92 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.33 -31.89 64.26 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.728 -1.124 . . . . 1.68 110.526 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.3 m -64.03 -48.05 77.83 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.962 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -83.35 -37.53 23.23 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 3.49 110.363 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -51.09 56.79 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 120.439 -0.505 . . . . 1.18 111.15 -174.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 93.7 p -80.15 -44.23 20.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.008 -0.677 . . . . 1.74 111.644 -174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.03 -42.99 22.69 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.978 -0.555 . . . . 3.33 110.229 -166.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 N--CA 1.437 -1.098 0 C-N-CA 119.858 -0.737 . . . . 3.29 112.434 -176.541 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.786 0.662 . . . . 2.68 112.786 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.511 ' HB3' ' OD2' ' B' ' 44' ' ' ASP . 18.9 t -87.01 179.51 6.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.266 -0.879 . . . . 1.22 110.57 -177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.33 -48.04 80.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.525 0.565 . . . . 2.47 112.525 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 12' ' ' ILE . 13.4 tp -67.38 -44.0 80.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.908 -0.775 . . . . 1.81 108.908 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.673 ' CD ' ' HB2' ' B' ' 48' ' ' PHE . 3.9 tp10 -55.96 -50.73 69.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.624 -1.171 . . . . 2.29 111.668 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' SER . 88.9 mtt180 -60.29 -37.72 81.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.824 -0.625 . . . . 3.54 109.983 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.543 ' ND2' ' HB ' ' B' ' 14' ' ' THR . 4.7 m-20 -69.1 -37.46 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.827 . . . . 1.71 111.1 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -62.12 -47.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 110.061 -0.348 . . . . 0.32 110.061 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -41.94 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 1.95 111.112 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.541 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 85.1 m -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.366 0.603 . . . . 0.44 110.164 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' B' ' 15' ' ' ILE . 4.1 mt -64.57 -49.3 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.42 110.762 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' OG ' ' B' ' 90' ' ' SER . 93.3 mt -62.35 -39.64 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.42 110.697 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.703 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.2 m-80 -59.72 -40.62 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.392 -0.367 . . . . 1.76 110.589 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.708 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 73.1 m -63.43 -49.64 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.341 -0.391 . . . . 0.8 110.588 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' ' HE1' ' A' ' 79' ' ' PHE . 10.5 m-30 -58.99 -52.54 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.877 0.37 . . . . 3.66 110.686 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 1.2 p-80 -71.07 -20.92 62.31 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 112.768 0.655 . . . . 2.82 112.768 -174.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 18' ' ' THR . 25.1 pt20 -73.54 -32.31 64.13 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.678 0.672 . . . . 1.45 110.225 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 18' ' ' THR . 79.6 m-85 -78.82 -33.73 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 1.4 110.594 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 57.5 p -79.62 -30.09 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.023 0.439 . . . . 1.04 111.032 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 6.0 p -66.4 -7.0 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.054 -0.521 . . . . 0.69 111.265 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 69.1 mttm -61.52 -29.02 69.73 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.396 -0.366 . . . . 2.17 110.067 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.71 13.11 15.05 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.851 0.686 . . . . 2.04 112.851 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.45 -121.26 6.91 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.506 -0.854 . . . . 1.43 111.368 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -60.5 122.13 65.47 Favored Pre-proline 0 CA--C 1.519 -0.226 0 N-CA-C 106.078 -1.823 . . . . 3.7 106.078 165.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HB2' ' OG ' ' A' ' 23' ' ' SER . 29.8 Cg_endo -76.65 62.02 7.06 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 C-N-CA 120.62 0.88 . . . . 2.64 113.235 -153.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -32.33 69.93 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 120.853 1.661 . . . . 2.56 113.141 -149.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.586 HG21 ' OE1' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -155.44 167.43 30.4 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 125.086 1.354 . . . . 1.4 108.495 -172.058 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.36 117.22 31.11 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.808 -1.182 . . . . 0.73 107.808 160.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.574 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 2.5 m-20 -85.41 -179.46 6.95 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.348 -0.941 . . . . 2.37 109.634 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.961 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 46.7 tt0 -50.15 -43.04 51.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.651 0.612 . . . . 1.42 112.651 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.05 -41.41 40.08 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.62 -0.8 . . . . 0.44 111.917 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.574 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 4.0 mp0 -67.33 -41.05 85.87 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.074 -0.563 . . . . 2.0 110.162 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' HE2' ' O ' ' A' ' 59' ' ' ILE . 58.0 t80 -64.86 -49.98 68.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.846 . . . . 1.47 110.897 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -53.36 -45.47 69.18 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.025 -0.534 . . . . 1.38 110.703 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 24.8 tt0 -69.53 -44.69 70.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 1.74 111.677 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.46 -49.86 73.38 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -59.75 -37.13 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.398 0.618 . . . . 0.4 110.688 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 ttm180 -73.3 -29.96 63.07 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.539 -0.755 . . . . 3.25 111.947 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 56.5 mmtt -95.06 -50.52 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.265 0.468 . . . . 2.33 112.265 -172.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.623 ' CG ' ' HB3' ' B' ' 8' ' ' LEU . 1.9 t70 -103.18 -42.71 5.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.98 -0.688 . . . . 1.88 111.386 -172.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 89.8 mt -78.78 3.1 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.44 109.948 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.7 pt20 -51.0 -21.95 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.908 -1.042 . . . . 1.46 111.412 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' B' ' 9' ' ' GLU . 7.4 p30 -103.14 -47.08 4.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.617 -0.265 . . . . 2.14 110.762 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.669 ' HB2' ' CD ' ' B' ' 9' ' ' GLU . 15.5 t80 -68.66 -35.26 77.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 122.057 0.932 . . . . 1.91 109.435 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD12 HG13 ' A' ' 41' ' ' VAL . 62.9 mt -108.22 23.78 13.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.568 -1.196 . . . . 0.61 110.041 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 18.8 ptpt -47.5 -50.25 23.83 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.319 0.387 . . . . 2.16 111.687 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -65.81 -32.15 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.357 0.599 . . . . 1.25 110.742 -176.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.718 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 34.3 tt0 -76.42 -33.77 58.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.13 110.407 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -69.38 -16.3 63.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.525 -0.761 . . . . 1.7 110.334 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.1 mtpp -82.2 -8.51 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 3.34 110.892 -177.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.63 146.33 50.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.072 0.463 . . . . 1.92 110.078 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -84.93 -44.46 13.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 2.46 111.367 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -67.37 -24.35 65.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 2.5 111.633 -173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 4.0 t -72.85 -40.41 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.568 . . . . 0.66 109.465 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' HE2' ' A' ' 37' ' ' PHE . 19.7 mm -61.74 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.678 -0.86 . . . . 1.05 108.678 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 63' ' ' MET . 43.9 mt-10 -61.43 -34.55 75.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.736 -0.665 . . . . 1.86 111.344 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -60.12 -51.27 70.31 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.992 -0.283 . . . . 1.87 110.576 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 50.0 mt -69.32 -33.15 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.754 0.788 . . . . 1.18 109.936 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.961 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.6 tpt -53.51 -38.18 63.47 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.493 -1.685 . . . . 1.05 111.462 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 4.4 tm-20 -120.91 -29.92 4.51 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 114.673 -2.811 . . . . 2.37 110.988 -172.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.88 -33.93 69.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.05 -0.66 . . . . 1.93 110.235 172.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.97 -18.77 31.68 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.08 -0.388 . . . . 1.26 112.031 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 11.4 t70 -64.27 77.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 122.288 1.042 . . . . 1.39 110.949 -176.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -71.56 -21.84 61.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.858 -1.519 . . . . 1.98 110.001 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.23 -3.63 58.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.159 -0.682 . . . . 2.25 109.159 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.37 25.45 6.02 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.48 -1.237 . . . . 1.15 113.689 168.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 2.7 t70 -120.7 17.96 11.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.331 . . . . 1.95 110.703 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' NZ ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.2 2.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.071 -1.085 . . . . 1.64 108.071 -171.208 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.586 ' OE1' HG21 ' A' ' 31' ' ' THR . 76.3 mt-30 -141.06 143.21 34.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.853 -1.521 . . . . 1.59 109.528 -173.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 52.5 mt -122.06 112.82 18.71 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.283 -0.636 . . . . 0.7 109.283 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -74.43 166.32 23.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.489 -0.93 . . . . 1.42 108.489 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 25.0 p90 -51.01 -38.26 50.22 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.015 -0.274 . . . . 3.07 111.566 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.597 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.4 mt-10 -64.17 -41.33 97.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.73 0.3 . . . . 2.03 111.637 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.14 -44.16 63.56 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.457 0.646 . . . . 3.18 110.491 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.516 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 46.4 t80 -71.78 -28.35 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.141 -0.481 . . . . 3.12 110.955 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.9 tp -67.82 -37.29 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 2.0 109.338 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.49 -35.46 68.02 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.28 -0.418 . . . . 2.01 110.073 172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.1 tt -58.3 -41.8 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.435 -0.58 . . . . 1.38 109.435 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.476 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 34.5 mmt -59.14 -25.52 63.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 0.91 110.749 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.724 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.59 -35.34 60.6 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.951 0.405 . . . . 0.35 110.454 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.26 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.704 -0.85 . . . . 1.67 108.704 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 48' ' ' PHE . 31.4 mt -67.16 -34.24 77.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.057 -0.974 . . . . 1.68 109.871 175.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.409 ' HA ' HD13 ' B' ' 16' ' ' ILE . 52.5 m -65.04 -36.1 83.28 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.867 -0.333 . . . . 0.48 110.841 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.694 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.4 t-105 -66.17 -37.2 85.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.06 -0.656 . . . . 3.49 109.577 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.04 91.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 1.18 110.839 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.582 ' OG ' HD13 ' B' ' 16' ' ' ILE . 13.0 p -72.18 -23.89 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 1.74 110.939 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 33.1 t-80 -65.42 -33.25 75.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 3.33 109.194 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.694 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 7.0 mm-40 . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.136 -0.938 . . . . 3.3 109.894 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 112.676 0.621 . . . . 2.68 112.676 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.52 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 20.2 t -87.25 179.37 6.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 1.22 110.459 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.06 -48.05 79.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.676 0.621 . . . . 2.47 112.676 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.697 ' O ' HG13 ' B' ' 12' ' ' ILE . 13.4 tp -67.32 -44.04 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.966 -0.753 . . . . 1.81 108.966 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.669 ' CD ' ' HB2' ' A' ' 48' ' ' PHE . 3.9 tp10 -55.98 -50.73 70.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.584 -1.189 . . . . 2.28 111.775 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 6' ' ' SER . 89.2 mtt180 -60.19 -37.87 81.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.802 -0.635 . . . . 3.54 109.89 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.541 ' ND2' ' HB ' ' A' ' 14' ' ' THR . 4.7 m-20 -69.02 -37.43 78.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 1.7 111.132 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.697 HG13 ' O ' ' B' ' 8' ' ' LEU . 58.3 mt -62.2 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 110.062 -0.347 . . . . 0.33 110.062 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.386 . . . . 1.95 111.077 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.543 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 85.1 m -63.77 -37.78 88.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.285 0.564 . . . . 0.44 110.065 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' A' ' 15' ' ' ILE . 4.1 mt -64.47 -49.46 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.72 -0.673 . . . . 0.42 110.674 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.582 HD13 ' OG ' ' A' ' 90' ' ' SER . 93.6 mt -62.45 -39.5 84.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.688 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.694 ' HA ' ' CE1' ' B' ' 20' ' ' HIS . 10.3 m-80 -59.66 -40.72 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.42 -0.355 . . . . 1.76 110.627 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 69.5 m -63.52 -49.53 73.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.357 -0.383 . . . . 0.8 110.582 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' HE1' ' B' ' 79' ' ' PHE . 10.6 m-30 -58.96 -52.49 65.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 3.66 110.69 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 1.2 p-80 -71.08 -20.91 62.3 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 112.776 0.658 . . . . 2.83 112.776 -174.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' B' ' 18' ' ' THR . 25.2 pt20 -73.63 -32.29 63.97 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.647 0.658 . . . . 1.45 110.266 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' B' ' 18' ' ' THR . 79.4 m-85 -78.86 -33.72 45.64 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.27 -0.572 . . . . 1.4 110.641 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 57.8 p -79.48 -30.24 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.04 111.043 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' B' ' 20' ' ' HIS . 5.9 p -66.64 -6.25 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.075 -0.511 . . . . 0.69 111.309 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 69.0 mttm -62.14 -28.78 69.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.343 -0.39 . . . . 2.17 110.119 178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.97 13.16 15.45 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.884 0.698 . . . . 2.04 112.884 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.18 -121.21 6.93 Favored Glycine 0 N--CA 1.461 0.313 0 C-N-CA 120.605 -0.807 . . . . 1.43 111.322 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -60.92 122.11 66.72 Favored Pre-proline 0 CA--C 1.519 -0.234 0 N-CA-C 106.068 -1.827 . . . . 3.7 106.068 166.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.518 ' HB2' ' OG ' ' B' ' 23' ' ' SER . 30.3 Cg_endo -76.45 61.78 6.84 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 C-N-CA 120.63 0.887 . . . . 2.64 113.333 -153.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -70.44 -32.26 69.77 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 120.913 1.688 . . . . 2.56 113.129 -148.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.602 HG21 ' OE1' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -155.59 167.25 30.98 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 125.121 1.368 . . . . 1.4 108.458 -171.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.18 117.26 30.98 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.794 -1.187 . . . . 0.73 107.794 160.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.573 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 2.5 m-20 -85.02 -179.43 7.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.485 -0.886 . . . . 2.37 109.733 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.97 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 46.4 tt0 -50.3 -42.95 53.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.507 0.558 . . . . 1.42 112.507 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.12 -41.07 40.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.447 -0.882 . . . . 0.44 111.974 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.573 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.7 mp0 -67.66 -41.02 84.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 2.01 110.14 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.437 ' HE2' ' O ' ' B' ' 59' ' ' ILE . 57.8 t80 -64.89 -49.85 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.461 -0.79 . . . . 1.47 110.924 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 87.3 mttt -53.5 -45.37 69.65 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.39 110.652 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 24.3 tt0 -69.68 -44.56 70.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 1.75 111.785 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.56 -49.91 73.43 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.463 -0.569 . . . . 1.43 109.463 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.0 t -59.78 -37.02 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.439 0.638 . . . . 0.4 110.735 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.582 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 40.7 ttm180 -73.28 -30.14 63.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.513 -0.767 . . . . 3.25 111.815 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 56.6 mmtt -94.92 -50.57 5.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.275 0.472 . . . . 2.33 112.275 -172.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.624 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 1.9 t70 -103.11 -42.44 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.09 -0.644 . . . . 1.87 111.456 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 90.0 mt -78.95 3.1 18.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.341 0.591 . . . . 0.44 109.926 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.7 pt20 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.94 -1.027 . . . . 1.46 111.536 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' A' ' 9' ' ' GLU . 7.4 p30 -102.83 -47.1 4.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.445 -0.343 . . . . 2.14 110.857 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.673 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 15.6 t80 -68.68 -35.41 77.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 122.056 0.932 . . . . 1.92 109.517 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.41 HD12 HG13 ' B' ' 41' ' ' VAL . 62.8 mt -108.0 23.81 13.91 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.392 -1.276 . . . . 0.61 110.024 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 18.8 ptpt -47.46 -50.46 23.0 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.255 0.347 . . . . 2.15 111.643 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.713 ' HD2' ' N ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -65.83 -31.99 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.474 0.654 . . . . 1.25 110.688 -176.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.713 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 34.6 tt0 -76.52 -33.93 58.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.121 -0.945 . . . . 2.13 110.41 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.25 -16.31 63.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.524 -0.762 . . . . 1.7 110.461 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.1 mtpp -82.37 -8.07 59.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.599 -0.728 . . . . 3.34 110.99 -177.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -127.72 146.72 50.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 1.92 110.089 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.33 -44.69 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.037 -0.529 . . . . 2.46 111.342 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -67.41 -24.28 65.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.766 -0.652 . . . . 2.5 111.736 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 4.0 t -72.69 -40.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.566 -0.531 . . . . 0.66 109.566 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' B' ' 52' ' ' GLU . 19.1 mm -61.56 -40.39 86.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 N-CA-C 108.788 -0.819 . . . . 1.05 108.788 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 63' ' ' MET . 43.9 mt-10 -61.55 -34.65 75.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.7 -0.682 . . . . 1.85 111.214 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.87 -51.22 70.64 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 121.097 -0.241 . . . . 1.87 110.692 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.431 ' HA ' ' OD1' ' B' ' 65' ' ' ASP . 50.4 mt -69.46 -33.24 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.743 0.783 . . . . 1.18 109.961 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.97 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.6 tpt -53.36 -38.15 63.04 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.428 -1.715 . . . . 1.05 111.441 173.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 4.5 tm-20 -120.89 -30.08 4.49 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 114.527 -2.869 . . . . 2.36 110.937 -172.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -57.71 -34.28 69.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.219 173.074 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.62 -18.82 32.18 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 112.052 0.389 . . . . 1.26 112.052 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 11.4 t70 -64.25 78.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.445 1.117 . . . . 1.4 110.959 -176.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 31.2 m -71.7 -21.91 61.72 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.768 -1.56 . . . . 1.98 110.066 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.19 -3.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.043 -0.725 . . . . 2.25 109.043 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.42 25.42 6.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.531 -1.213 . . . . 1.14 113.541 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 2.5 t70 -120.59 18.14 12.02 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.113 -0.367 . . . . 1.95 110.714 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.0 2.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.069 -1.086 . . . . 1.64 108.069 -171.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.602 ' OE1' HG21 ' B' ' 31' ' ' THR . 76.3 mt-30 -141.1 143.14 34.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.956 -1.474 . . . . 1.59 109.613 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 52.2 mt -122.12 112.67 18.5 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.284 -0.635 . . . . 0.7 109.284 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -74.72 166.25 23.9 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.484 -0.932 . . . . 1.41 108.484 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.461 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 25.2 p90 -50.84 -38.37 48.6 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.688 0.255 . . . . 3.06 111.688 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.599 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.9 mt-10 -64.14 -41.31 97.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 2.04 111.632 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.07 -44.08 63.86 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.531 0.681 . . . . 3.18 110.553 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.515 ' HE1' ' CE2' ' B' ' 19' ' ' PHE . 46.5 t80 -71.84 -28.27 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.07 -0.513 . . . . 3.12 110.993 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.9 tp -67.94 -37.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.297 -0.631 . . . . 2.0 109.297 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.6 -35.48 68.3 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.989 0.423 . . . . 2.01 110.062 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 82' ' ' LEU . 3.1 tt -58.33 -41.79 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.428 -0.582 . . . . 1.38 109.428 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.478 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 34.5 mmt -59.17 -25.54 64.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.91 110.752 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.62 -35.21 60.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.878 0.37 . . . . 0.35 110.508 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.37 -39.11 92.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.837 -0.801 . . . . 1.67 108.837 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 48' ' ' PHE . 31.8 mt -67.27 -34.27 77.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.034 -0.984 . . . . 1.68 109.793 174.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.418 ' HA ' HD13 ' A' ' 16' ' ' ILE . 51.9 m -64.9 -36.19 83.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.825 -0.35 . . . . 0.48 110.833 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.693 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t-105 -66.25 -36.98 84.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.114 -0.634 . . . . 3.49 109.534 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.93 90.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.89 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 16' ' ' ILE . 12.9 p -72.26 -23.84 61.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.774 0.321 . . . . 1.74 110.912 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 33.5 t-80 -65.5 -33.16 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.606 0.717 . . . . 3.33 109.201 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 6.9 mm-40 . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 115.066 -0.97 . . . . 3.29 109.949 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.439 ' HB3' ' HB2' ' A' ' 9' ' ' GLU . 66.3 mtm . . . . . 0 C--O 1.235 0.305 0 CA-C-O 121.352 0.596 . . . . 2.68 111.263 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -75.39 178.38 5.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.783 -1.099 . . . . 1.22 110.874 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.475 HE21 ' CG2' ' B' ' 14' ' ' THR . 44.0 tt0 -55.78 -45.28 78.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.385 -0.371 . . . . 2.47 110.4 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' ILE . 14.5 tp -65.81 -45.76 81.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.118 -0.492 . . . . 1.81 110.445 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.685 ' OE1' ' HA ' ' B' ' 45' ' ' LEU . 4.5 mm-40 -57.44 -51.32 69.91 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 2.29 110.854 -174.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.79 -38.52 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.434 -0.803 . . . . 3.54 110.951 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.64 -40.28 76.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 1.71 110.664 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.0 mt -62.66 -47.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.32 110.034 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.68 -35.66 72.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.785 -0.643 . . . . 1.95 111.555 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.494 ' CG2' HE21 ' B' ' 7' ' ' GLN . 50.1 m -66.4 -39.01 88.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.192 0.52 . . . . 0.44 110.495 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 66.4 mt -67.38 -48.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 0.42 110.39 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 12' ' ' ILE . 67.0 mt -60.41 -36.94 72.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.591 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.85 -39.69 83.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.684 -0.234 . . . . 1.76 111.151 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 55.6 m -62.56 -44.47 96.25 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.315 -0.624 . . . . 0.8 109.315 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.87 -49.08 69.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.546 -0.752 . . . . 3.66 109.817 170.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -55.58 -50.85 68.99 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.883 -0.599 . . . . 2.82 112.313 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.2 pt20 -61.67 -37.56 84.53 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.201 -0.2 . . . . 1.45 111.067 -173.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.89 -38.74 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.705 -0.398 . . . . 1.4 111.283 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.818 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 36.8 p -69.99 -38.66 76.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.496 0.665 . . . . 1.04 110.741 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.8 p -72.11 -3.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.281 -0.872 . . . . 0.69 111.452 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 48.0 mtpt -63.97 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 2.17 109.754 174.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tt -88.17 -23.51 23.59 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.683 -0.69 . . . . 2.04 111.062 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -105.21 1.04 Allowed Glycine 0 C--O 1.228 -0.263 0 N-CA-C 111.44 -0.664 . . . . 1.43 111.44 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.98 95.34 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.212 0 N-CA-C 106.759 -1.571 . . . . 3.7 106.759 166.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.818 ' O ' ' HB2' ' A' ' 23' ' ' SER . 62.8 Cg_endo -74.7 31.55 0.35 Allowed 'Trans proline' 0 C--O 1.219 -0.441 0 N-CA-C 116.319 1.623 . . . . 2.64 116.319 -151.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 5.81 2.2 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.282 2.764 . . . . 2.56 113.87 -146.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -156.74 163.7 38.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.493 0.717 . . . . 1.4 110.771 -174.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.22 123.97 42.57 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.33 -0.989 . . . . 0.73 108.33 160.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.83 173.49 12.55 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.812 -0.755 . . . . 2.37 109.672 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 6.0 tt0 -50.66 -44.26 57.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.365 0.416 . . . . 1.42 111.081 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.15 70.36 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.639 -0.791 . . . . 0.44 111.593 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 1.2 mp0 -69.29 -43.36 73.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.576 -0.312 . . . . 2.0 111.172 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.07 -49.46 69.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.82 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 44.3 mtpt -64.25 -33.53 76.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.399 . . . . 1.38 110.481 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' HE2' ' A' ' 43' ' ' LYS . 34.2 tt0 -69.81 -45.45 67.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.647 -0.706 . . . . 1.74 110.411 177.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.21 -46.85 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.43 109.728 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 70.2 t -59.39 -37.43 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.4 110.565 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 14.2 ttm180 -72.94 -28.3 62.35 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.99 -0.55 . . . . 3.25 111.701 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 39' ' ' GLU . 66.7 mttm -104.72 -45.96 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.314 0.857 . . . . 2.33 113.314 -173.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -43.67 7.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.049 -0.66 . . . . 1.88 111.494 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 59.9 mt -86.96 3.08 47.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.932 0.396 . . . . 0.44 110.614 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 16.1 pt20 -52.25 -24.38 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.64 . . . . 1.46 111.609 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -94.88 -48.51 5.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.374 -0.375 . . . . 2.14 110.465 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.657 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -76.23 -35.41 59.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 1.91 110.344 -175.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 mt -99.23 26.54 5.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 0.61 110.024 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.12 -57.31 3.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.0 -0.545 . . . . 2.16 111.713 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.43 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.779 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 0.7 OUTLIER -73.11 -38.03 66.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 2.13 110.557 176.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -15.69 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.614 0.721 . . . . 1.7 110.177 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -82.03 -3.66 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.167 -0.924 . . . . 3.34 110.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -131.27 169.75 15.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 1.92 110.399 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -109.39 -49.56 3.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 2.46 110.001 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.06 -31.0 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.788 -0.642 . . . . 2.5 111.589 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 23.1 t -64.53 -35.81 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.43 -0.35 . . . . 0.66 110.317 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.411 HD12 HG11 ' A' ' 41' ' ' VAL . 11.5 mm -70.58 -35.83 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 1.05 109.663 178.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.4 -36.68 83.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.179 -0.464 . . . . 1.86 110.931 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -67.53 -48.5 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 1.87 110.32 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.32 -33.87 63.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.356 0.598 . . . . 1.18 109.83 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.41 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 13.7 tpt -60.8 -52.6 64.39 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 114.565 -1.198 . . . . 1.05 111.586 176.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.0 tt0 -99.13 -28.26 13.45 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 113.665 -3.214 . . . . 2.37 108.842 -159.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.099 -0.64 . . . . 1.93 110.395 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 57.2 mt -74.72 -30.62 61.58 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.9 -0.32 . . . . 1.26 111.427 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 32.9 t0 -63.69 78.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.834 0.854 . . . . 1.39 111.43 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.2 m -63.49 -26.3 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.013 -0.994 . . . . 1.98 111.001 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.58 -4.46 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.471 -0.566 . . . . 2.25 109.471 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.55 25.64 4.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.79 -1.096 . . . . 1.15 112.814 172.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.61 22.87 11.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 1.95 111.109 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.96 41.96 4.49 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.616 -0.883 . . . . 1.64 108.616 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 92.6 mt-30 -141.74 142.0 33.27 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.467 -1.242 . . . . 1.59 110.257 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 42.0 mt -119.18 113.36 20.77 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.948 -0.76 . . . . 0.7 108.948 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.489 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 7.7 t -77.74 172.15 13.86 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.757 -1.201 . . . . 1.42 107.757 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.511 ' CB ' HG21 ' B' ' 87' ' ' THR . 1.4 p90 -53.84 -39.93 66.04 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.702 0.63 . . . . 3.07 112.702 -175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.1 mt-10 -67.39 -36.16 80.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.971 0.415 . . . . 2.03 110.86 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 mp0 -69.83 -46.22 66.09 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.505 0.669 . . . . 3.18 109.906 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 60.7 t80 -68.68 -29.2 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.672 . . . . 3.12 111.105 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.45 -40.21 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.422 -0.511 . . . . 2.0 110.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.53 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 89.4 mmm -55.21 -31.88 61.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 2.01 111.328 170.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.7 tm? -62.75 -39.21 93.43 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.631 -0.507 . . . . 1.38 109.631 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.6 mmt -60.23 -30.62 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.91 109.958 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.76 -30.61 59.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.35 110.607 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' MET . 32.0 mtp85 -68.12 -36.44 79.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.645 0.736 . . . . 1.67 109.128 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.91 -30.28 70.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.126 -0.943 . . . . 1.68 109.411 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.51 HG21 ' CB ' ' B' ' 76' ' ' PHE . 76.7 m -70.86 -26.36 63.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.562 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.3 m0 -66.06 -36.04 82.16 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.388 -0.967 . . . . 3.49 108.388 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -63.48 -46.03 88.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.914 -1.039 . . . . 1.18 110.508 175.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -77.06 -1.54 29.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.219 -0.446 . . . . 1.74 111.876 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 39.5 t-80 -80.62 -40.93 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 3.33 108.284 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 2.6 pt-20 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 114.635 -1.166 . . . . 3.3 110.105 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' B' ' 9' ' ' GLU . 65.6 mtm . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 121.286 0.565 . . . . 2.68 111.183 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -75.31 178.52 5.77 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.798 -1.092 . . . . 1.22 110.958 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . 0.494 HE21 ' CG2' ' A' ' 14' ' ' THR . 44.1 tt0 -55.88 -45.31 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.302 -0.408 . . . . 2.47 110.271 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.546 ' O ' HG13 ' B' ' 12' ' ' ILE . 14.4 tp -65.84 -45.77 80.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.81 110.541 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.701 ' OE1' ' HA ' ' A' ' 45' ' ' LEU . 4.4 mm-40 -57.32 -51.32 69.85 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.261 0.553 . . . . 2.28 110.876 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -60.81 -38.54 85.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 3.54 110.958 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.7 -40.22 76.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 1.7 110.552 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.546 HG13 ' O ' ' B' ' 8' ' ' LEU . 84.1 mt -62.83 -47.83 90.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.394 . . . . 0.33 109.973 177.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.68 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 1.95 111.66 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.475 ' CG2' HE21 ' A' ' 7' ' ' GLN . 48.1 m -66.48 -39.17 88.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.128 0.489 . . . . 0.44 110.478 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 66.1 mt -67.32 -48.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.42 110.368 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 12' ' ' ILE . 67.2 mt -60.41 -36.85 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.679 -0.691 . . . . 0.42 110.634 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -67.84 -39.94 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.629 -0.259 . . . . 1.76 111.118 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 54.2 m -62.33 -44.63 96.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.285 -0.635 . . . . 0.8 109.285 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -53.86 -48.93 69.51 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.493 -0.776 . . . . 3.66 109.858 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -55.73 -50.82 69.33 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.964 -0.562 . . . . 2.83 112.287 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 18' ' ' THR . 21.2 pt20 -61.65 -37.54 84.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.179 -0.208 . . . . 1.45 111.017 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.01 -38.58 36.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.64 -0.424 . . . . 1.4 111.261 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.812 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 36.9 p -70.08 -38.74 75.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.488 0.661 . . . . 1.04 110.623 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.561 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.8 p -72.12 -4.18 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.376 -0.829 . . . . 0.69 111.411 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 47.9 mtpt -63.88 -22.43 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 2.17 109.678 174.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.32 -23.48 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.667 -0.697 . . . . 2.04 111.119 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.68 -105.25 1.04 Allowed Glycine 0 C--O 1.229 -0.171 0 N-CA-C 111.379 -0.688 . . . . 1.43 111.379 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.93 95.42 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.205 0 N-CA-C 106.721 -1.585 . . . . 3.7 106.721 166.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' B' ' 23' ' ' SER . 61.8 Cg_endo -74.73 31.69 0.35 Allowed 'Trans proline' 0 C--O 1.22 -0.4 0 N-CA-C 116.316 1.622 . . . . 2.64 116.316 -151.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.71 5.82 2.28 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 123.386 2.812 . . . . 2.56 113.74 -146.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.6 OUTLIER -156.67 163.62 39.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.476 0.71 . . . . 1.4 110.88 -174.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.27 124.04 42.68 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.309 -0.997 . . . . 0.73 108.309 160.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -80.96 173.15 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.778 -0.769 . . . . 2.37 109.626 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 6.0 tt0 -50.25 -44.16 53.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.91 0.386 . . . . 1.42 111.19 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.26 -35.19 69.75 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.646 -0.788 . . . . 0.44 111.647 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' B' ' 25' ' ' LYS . 1.3 mp0 -69.47 -43.29 73.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.343 . . . . 2.01 111.149 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 41' ' ' VAL . 55.0 t80 -65.02 -49.56 69.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.825 -177.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 34' ' ' GLN . 44.0 mtpt -64.05 -33.56 76.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.901 0.381 . . . . 1.39 110.5 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.414 ' HG3' ' HE2' ' B' ' 43' ' ' LYS . 34.2 tt0 -69.71 -45.49 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.723 -0.671 . . . . 1.75 110.477 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.36 -46.77 85.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 1.43 109.74 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.5 t -59.33 -37.39 69.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.81 -0.632 . . . . 0.4 110.593 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.665 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 14.3 ttm180 -73.0 -28.46 62.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 3.25 111.674 -175.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.414 ' HE2' ' HG3' ' B' ' 39' ' ' GLU . 66.7 mttm -104.62 -45.98 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.34 0.867 . . . . 2.33 113.34 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.41 -43.78 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.064 -0.654 . . . . 1.87 111.518 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.685 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 60.9 mt -86.9 2.97 47.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 0.44 110.665 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.665 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 16.1 pt20 -52.3 -24.12 6.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.747 -0.66 . . . . 1.46 111.643 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' B' ' 47' ' ' ASN . 3.0 t-20 -94.99 -48.53 5.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.342 -176.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.647 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -76.18 -35.45 59.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.339 0.59 . . . . 1.92 110.361 -175.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -99.27 26.66 5.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.393 -0.821 . . . . 0.61 110.022 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.22 -57.38 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.657 0.598 . . . . 2.15 111.718 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 1.25 111.68 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.467 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -73.13 -37.99 66.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.376 . . . . 2.13 110.626 176.296 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -69.71 -15.68 63.2 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.63 0.728 . . . . 1.7 110.116 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -81.97 -3.98 55.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.173 -0.921 . . . . 3.34 110.127 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -131.02 169.88 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.92 110.305 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -109.56 -49.45 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.923 -0.581 . . . . 2.46 110.035 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -62.15 -31.06 71.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 2.5 111.571 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 22.8 t -64.43 -35.96 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.98 0.419 . . . . 0.66 110.322 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.408 HD12 HG11 ' B' ' 41' ' ' VAL . 11.6 mm -70.55 -35.91 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.577 -0.527 . . . . 1.05 109.577 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.41 -36.77 83.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.112 0.482 . . . . 1.85 110.809 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -67.56 -48.33 67.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 1.87 110.372 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 58' ' ' VAL . 59.1 mt -63.44 -33.71 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 1.18 109.942 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.42 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 13.7 tpt -60.87 -52.58 64.47 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 114.528 -1.214 . . . . 1.05 111.699 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.521 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 26.5 tt0 -99.22 -28.12 13.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 113.671 -3.212 . . . . 2.36 108.764 -159.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.68 -38.0 71.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.262 -0.575 . . . . 1.93 110.495 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' B' ' 78' ' ' GLU . 56.7 mt -75.04 -30.67 61.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.958 -0.297 . . . . 1.26 111.412 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 31.2 t0 -63.68 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.076 0.86 . . . . 1.4 111.277 -175.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.6 m -64.29 -26.57 68.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.904 -1.044 . . . . 1.98 110.961 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -87.47 -4.29 59.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 2.25 109.523 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.78 25.65 5.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.029 -0.987 . . . . 1.14 112.758 171.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.75 22.88 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.5 -0.318 . . . . 1.95 111.205 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.95 41.95 4.52 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.591 -0.892 . . . . 1.64 108.591 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.464 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 92.7 mt-30 -141.72 142.42 33.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.374 -1.284 . . . . 1.59 110.122 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.42 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 41.7 mt -119.59 113.32 20.53 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.009 -0.737 . . . . 0.7 109.009 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . 0.476 ' HB3' ' OE2' ' B' ' 78' ' ' GLU . 7.6 t -77.68 171.98 14.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.876 -1.157 . . . . 1.41 107.876 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' A' ' 87' ' ' THR . 1.3 p90 -53.66 -40.06 65.57 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 112.612 0.597 . . . . 3.06 112.612 -175.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.483 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.0 mt-10 -67.56 -35.54 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 2.04 110.952 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' B' ' 75' ' ' SER . 1.4 mp0 -70.43 -46.18 64.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.593 0.711 . . . . 3.18 109.824 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.474 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 60.5 t80 -68.7 -29.15 67.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.635 -0.712 . . . . 3.12 111.134 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.56 -40.13 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.387 -0.525 . . . . 2.0 110.012 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 89.0 mmm -55.3 -31.76 61.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.52 0.2 . . . . 2.01 111.323 170.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.7 tm? -62.82 -39.17 93.49 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.625 -0.509 . . . . 1.38 109.625 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.5 mmt -60.3 -30.39 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.91 110.039 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.85 -30.65 58.99 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.687 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' B' ' 81' ' ' MET . 32.2 mtp85 -67.97 -36.74 80.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.664 0.745 . . . . 1.67 109.115 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.8 -30.15 70.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.155 -0.929 . . . . 1.68 109.445 171.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.511 HG21 ' CB ' ' A' ' 76' ' ' PHE . 77.3 m -70.91 -26.47 63.23 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.458 -0.497 . . . . 0.48 110.518 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.523 ' CD2' ' HA ' ' B' ' 85' ' ' ARG . 44.2 m0 -65.94 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.456 -0.942 . . . . 3.49 108.456 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -63.8 -45.92 87.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.911 -1.04 . . . . 1.18 110.49 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 36.8 m -76.92 -1.74 30.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.271 -0.422 . . . . 1.74 111.906 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -80.57 -40.99 24.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 3.33 108.316 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 2.7 pt-20 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.704 -1.134 . . . . 3.29 110.136 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.699 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 94.3 mtp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 113.537 0.94 . . . . 2.68 113.537 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -75.84 176.9 7.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.965 -1.471 . . . . 1.22 111.509 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.466 HE21 ' CG2' ' B' ' 14' ' ' THR . 54.2 tt0 -58.27 -48.38 80.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.109 0.481 . . . . 2.47 110.919 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' HG13 ' A' ' 12' ' ' ILE . 3.2 tm? -63.21 -43.67 97.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.139 -0.937 . . . . 1.81 109.13 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.699 ' OE1' ' HA ' ' A' ' 5' ' ' MET . 7.2 tt0 -63.19 -50.17 71.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.132 -1.395 . . . . 2.29 111.701 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HD2' ' HE1' ' A' ' 5' ' ' MET . 18.3 mmm180 -59.73 -35.39 74.46 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.954 -0.567 . . . . 3.54 111.176 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 11.5 m120 -66.96 -37.56 84.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.871 -0.604 . . . . 1.71 110.841 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 28.7 mt -62.47 -49.51 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.32 109.965 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.6 -42.42 92.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.365 -0.834 . . . . 1.95 110.186 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.482 ' CG2' HE21 ' B' ' 7' ' ' GLN . 40.0 m -65.61 -41.62 92.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.839 -0.619 . . . . 0.44 110.919 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' B' ' 15' ' ' ILE . 8.7 mt -63.35 -47.08 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.321 -0.399 . . . . 0.42 110.664 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 12' ' ' ILE . 96.7 mt -56.44 -52.11 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 0.42 111.531 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.71 0.263 . . . . 1.76 111.71 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.756 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 84.0 m -71.02 -51.59 24.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.425 -0.51 . . . . 0.8 110.383 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HD2' HD11 ' A' ' 32' ' ' LEU . 38.3 m-85 -59.35 -42.33 91.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.034 0.445 . . . . 3.66 110.348 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 8.7 t-80 -70.66 -23.99 62.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.794 -0.639 . . . . 2.82 111.83 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.756 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.1 pt20 -73.59 -32.15 63.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.219 -0.66 . . . . 1.45 109.219 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 18' ' ' THR . 92.3 m-85 -79.59 -33.24 41.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.4 110.962 174.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 29' ' ' PRO . 84.7 p -66.63 -41.62 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.573 0.702 . . . . 1.04 109.19 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 28' ' ' HIS . 4.2 p -75.65 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.051 -0.977 . . . . 0.69 112.155 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 27.5 mtpp -58.92 -29.38 67.04 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.798 0.666 . . . . 2.17 112.798 -176.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 29' ' ' PRO . 25.1 tp -89.95 12.63 16.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.146 0.498 . . . . 2.04 111.095 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.09 -96.5 0.22 Allowed Glycine 0 N--CA 1.453 -0.223 0 N-CA-C 111.402 -0.679 . . . . 1.43 111.402 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.684 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 76.6 m-70 -131.32 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 113.431 0.9 . . . . 3.7 113.431 170.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 85.5 Cg_exo -56.48 166.37 3.6 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.55 2.167 . . . . 2.64 115.388 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.71 8.76 10.64 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.466 -2.152 . . . . 2.56 108.317 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -127.63 149.55 50.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.03 -1.441 . . . . 1.4 109.727 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD11 ' HD2' ' A' ' 19' ' ' PHE . 76.3 mt -91.88 118.77 31.04 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 108.195 -1.039 . . . . 0.73 108.195 169.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 1.7 m-20 -85.41 168.81 14.27 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.559 -0.904 . . . . 2.37 108.559 178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.901 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 29.8 tt0 -51.23 -40.17 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.413 0.523 . . . . 1.42 112.413 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.02 -41.91 38.68 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.668 -0.777 . . . . 0.44 111.931 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.523 ' OE2' ' HB2' ' A' ' 33' ' ' ASN . 4.9 mp0 -65.79 -40.79 92.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.181 -0.51 . . . . 2.0 110.732 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.31 -47.32 76.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.47 110.919 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 94.4 mttt -54.05 -48.31 70.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.781 0.324 . . . . 1.38 110.609 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.689 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 37.2 tt0 -64.66 -46.82 80.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.654 . . . . 1.74 110.751 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 19' ' ' PHE . 9.4 tt -57.44 -50.23 73.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 1.43 109.915 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 50.2 t -55.91 -37.1 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.903 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 79.7 mtt180 -70.46 -30.15 66.91 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.36 0.874 . . . . 3.25 113.36 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.48 -41.93 4.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.535 1.309 . . . . 2.33 114.535 -173.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . 2.0 p30 -106.8 -25.42 11.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.426 1.012 . . . . 1.88 113.059 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 96.2 mt -98.24 1.84 47.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.996 0.427 . . . . 0.44 110.357 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 14.8 pt20 -53.21 -21.22 4.88 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.318 0.858 . . . . 1.46 113.318 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.489 ' HB3' ' CD ' ' B' ' 9' ' ' GLU . 26.0 t-20 -95.35 -39.35 10.07 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.987 -0.445 . . . . 2.14 109.954 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.59 -35.65 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.482 0.658 . . . . 1.91 110.594 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 86' ' ' LEU . 87.8 mt -106.77 26.4 10.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.404 -0.817 . . . . 0.61 109.593 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 39.2 ttmt -46.0 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 2.16 112.952 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.14 -30.79 69.12 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.128 -0.629 . . . . 1.25 110.259 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 58' ' ' VAL . 15.5 mp0 -65.23 -37.69 88.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 2.13 111.551 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 46' ' ' GLN . 21.3 p30 -72.78 -14.64 61.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.919 0.39 . . . . 1.7 111.298 -170.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.36 -9.06 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.562 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -122.81 145.7 48.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 1.92 109.629 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 48.5 mt-10 -87.93 -39.95 14.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.219 -0.446 . . . . 2.46 110.641 -177.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.45 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.602 -0.726 . . . . 2.5 111.522 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG11 ' HG3' ' A' ' 52' ' ' GLU . 43.5 t -65.68 -41.75 91.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.66 110.278 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.488 HD12 HG11 ' A' ' 41' ' ' VAL . 19.0 mm -69.17 -35.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.562 -0.533 . . . . 1.05 109.562 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 47.8 mt-10 -59.54 -36.17 75.64 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.283 -0.417 . . . . 1.86 110.987 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -68.42 -49.01 63.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.631 -0.258 . . . . 1.87 110.702 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.06 -33.8 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 121.965 0.888 . . . . 1.18 109.568 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.901 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 11.2 tpt -60.31 -39.62 87.63 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 113.257 -1.792 . . . . 1.05 111.959 176.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 7.9 tm-20 -115.64 -27.7 7.01 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.313 -2.955 . . . . 2.37 109.668 -169.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -34.02 64.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.035 -0.266 . . . . 1.93 110.39 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -91.42 -11.8 36.61 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 112.588 0.588 . . . . 1.26 112.588 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.571 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 16.5 t0 -63.6 94.72 0.09 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.558 1.171 . . . . 1.39 111.84 -171.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.97 -45.64 42.36 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.67 -2.059 . . . . 1.98 113.136 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.417 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -96.71 -0.31 48.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.496 -0.32 . . . . 2.25 111.296 -171.055 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.84 25.44 6.68 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.576 0.703 . . . . 1.15 110.347 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -117.45 19.62 13.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.047 -0.979 . . . . 1.95 109.372 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.8 48.15 1.94 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.748 -1.114 . . . . 1.64 110.118 -178.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -143.27 140.08 30.47 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.058 -0.974 . . . . 1.59 110.314 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' ASP . 32.1 mt -108.65 118.6 37.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.482 -0.326 . . . . 0.7 110.38 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 46.5 t -69.16 158.29 35.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.74 -0.837 . . . . 1.42 108.74 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 31.9 p90 -53.22 -38.96 63.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.962 0.41 . . . . 3.07 111.341 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' ILE . 11.0 mt-10 -59.89 -31.78 70.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.569 -0.741 . . . . 2.03 111.045 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 75' ' ' SER . 3.5 mp0 -86.05 -37.71 18.6 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.241 0.46 . . . . 3.18 112.241 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -73.0 -25.98 61.17 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.414 -0.914 . . . . 3.12 109.924 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.8 tp -67.37 -41.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.398 -0.593 . . . . 2.0 109.398 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 82.4 mmm -57.58 -31.35 66.07 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.567 -0.288 . . . . 2.01 111.388 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 tm? -64.42 -36.76 85.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.769 -0.826 . . . . 1.38 108.769 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 23.7 mmt -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.91 109.98 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -71.16 -37.46 72.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.713 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 81' ' ' MET . 18.5 mtp180 -62.2 -40.18 95.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.43 0.633 . . . . 1.67 109.339 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 57.3 mt -70.53 -25.05 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.716 . . . . 1.68 110.129 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 55.3 m -69.69 -35.29 74.96 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.48 110.234 176.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.556 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 89.8 t90 -65.08 -36.76 85.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.732 -0.84 . . . . 3.49 108.732 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.05 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.57 -0.741 . . . . 1.18 110.597 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -79.57 -22.23 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.382 . . . . 1.74 110.464 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -68.62 -32.48 72.39 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.828 -1.175 . . . . 3.33 107.828 169.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.2 mm-40 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.83 174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.704 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 94.4 mtp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 113.654 0.983 . . . . 2.68 113.654 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -75.74 176.98 7.22 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.933 -1.485 . . . . 1.22 111.572 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . 0.482 HE21 ' CG2' ' A' ' 14' ' ' THR . 54.1 tt0 -58.41 -48.55 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 2.47 110.814 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.605 ' O ' HG13 ' B' ' 12' ' ' ILE . 3.2 tm? -62.96 -43.92 97.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.086 -0.961 . . . . 1.81 109.083 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.704 ' OE1' ' HA ' ' B' ' 5' ' ' MET . 7.4 tt0 -63.14 -50.22 71.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.229 -1.351 . . . . 2.28 111.644 -175.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.432 ' HD2' ' HE1' ' B' ' 5' ' ' MET . 18.1 mmm180 -59.88 -35.11 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 3.54 111.078 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 15' ' ' ILE . 11.5 m120 -67.16 -37.56 83.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.56 . . . . 1.7 110.81 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 8' ' ' LEU . 28.6 mt -62.4 -49.53 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.33 109.973 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.53 -42.55 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 1.95 110.293 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.466 ' CG2' HE21 ' A' ' 7' ' ' GLN . 44.3 m -65.46 -41.67 93.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.785 -0.643 . . . . 0.44 110.746 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' A' ' 15' ' ' ILE . 8.8 mt -63.42 -47.19 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.42 110.652 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 12' ' ' ILE . 96.7 mt -56.4 -52.18 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.42 111.474 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -69.65 -26.77 64.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.713 0.264 . . . . 1.76 111.713 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.761 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 79.8 m -71.06 -51.7 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.468 -0.493 . . . . 0.8 110.402 176.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.419 ' HD2' HD11 ' B' ' 32' ' ' LEU . 38.2 m-85 -59.55 -42.16 91.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.913 0.387 . . . . 3.66 110.35 174.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.525 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 8.8 t-80 -70.46 -24.59 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.935 -0.575 . . . . 2.83 111.773 -176.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.9 pt20 -73.07 -32.4 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.147 -0.686 . . . . 1.45 109.147 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.428 ' HD2' ' O ' ' B' ' 18' ' ' THR . 92.2 m-85 -79.38 -33.21 43.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 1.4 110.992 174.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' B' ' 29' ' ' PRO . 84.9 p -66.74 -41.46 87.79 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.664 0.745 . . . . 1.04 109.241 177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' B' ' 28' ' ' HIS . 4.2 p -75.81 -3.48 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.066 -0.97 . . . . 0.69 112.192 -177.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 27.6 mtpp -58.91 -29.69 67.25 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.776 0.658 . . . . 2.17 112.776 -176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.499 ' HB3' ' HG2' ' B' ' 29' ' ' PRO . 25.1 tp -89.61 12.75 15.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 2.04 111.061 -176.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.73 -96.68 0.23 Allowed Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.365 -0.694 . . . . 1.43 111.365 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.68 ' N ' ' HD3' ' B' ' 29' ' ' PRO . 77.2 m-70 -131.27 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 113.309 0.855 . . . . 3.7 113.309 171.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' N ' ' B' ' 28' ' ' HIS . 86.4 Cg_exo -56.46 166.15 3.78 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.484 2.122 . . . . 2.64 115.447 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.41 8.94 10.84 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 112.547 -2.115 . . . . 2.56 108.284 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -127.79 149.4 50.28 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.15 -1.386 . . . . 1.4 109.788 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.419 HD11 ' HD2' ' B' ' 19' ' ' PHE . 76.1 mt -91.6 118.54 30.71 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.346 -0.983 . . . . 0.73 108.346 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' OE2' ' B' ' 36' ' ' GLU . 1.7 m-20 -85.37 168.73 14.37 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.501 -0.925 . . . . 2.37 108.501 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 29.8 tt0 -51.0 -40.25 57.69 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.528 0.566 . . . . 1.42 112.528 -172.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.51 38.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.813 -0.708 . . . . 0.44 111.934 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' B' ' 33' ' ' ASN . 5.0 mp0 -66.01 -41.09 91.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.131 -0.534 . . . . 2.01 110.682 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.26 -47.26 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 1.47 110.944 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 94.3 mttt -54.08 -48.19 70.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 1.39 110.597 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 36.9 tt0 -64.69 -46.73 81.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.845 -0.616 . . . . 1.75 110.818 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 1.43 109.921 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 49.9 t -55.86 -37.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.4 110.93 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 79.7 mtt180 -70.42 -29.98 66.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.338 0.866 . . . . 3.25 113.338 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.77 -42.05 4.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.471 1.286 . . . . 2.33 114.471 -173.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 2.0 p30 -106.75 -25.42 11.74 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.538 1.063 . . . . 1.87 113.051 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 96.1 mt -98.13 1.8 47.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 0.44 110.384 174.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 15.0 pt20 -53.15 -21.28 4.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 113.305 0.854 . . . . 1.46 113.305 -173.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 9' ' ' GLU . 26.1 t-20 -95.44 -39.19 10.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 2.14 109.913 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.63 -35.75 65.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.449 0.643 . . . . 1.92 110.544 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 86' ' ' LEU . 87.7 mt -106.9 26.61 9.87 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.426 -0.806 . . . . 0.61 109.578 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 39.1 ttmt -46.05 -59.69 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.705 -1.134 . . . . 2.15 112.848 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -69.04 -30.73 69.15 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.13 -0.628 . . . . 1.25 110.271 -177.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HG3' HG11 ' B' ' 58' ' ' VAL . 16.3 mp0 -65.34 -37.84 88.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 2.13 111.535 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' B' ' 46' ' ' GLN . 21.0 p30 -72.5 -14.93 61.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.965 0.412 . . . . 1.7 111.319 -170.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.35 -8.74 59.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.027 -0.533 . . . . 3.34 110.523 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -122.87 146.01 47.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.502 -0.555 . . . . 1.92 109.502 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 47.6 mt-10 -88.27 -39.9 14.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.549 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' B' ' 60' ' ' GLU . 27.7 mtpp -63.6 -32.55 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 2.5 111.389 -177.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.476 HG11 ' HG3' ' B' ' 52' ' ' GLU . 43.9 t -65.37 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.957 -0.565 . . . . 0.66 110.357 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.481 HD12 HG11 ' B' ' 41' ' ' VAL . 19.6 mm -69.36 -34.91 64.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 48.4 mt-10 -59.78 -36.29 76.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.268 -0.424 . . . . 1.85 110.974 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -68.31 -48.92 63.64 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.618 -0.264 . . . . 1.87 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.13 -33.83 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.982 0.896 . . . . 1.18 109.545 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 11.2 tpt -60.3 -39.71 87.9 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.241 -1.8 . . . . 1.05 111.954 176.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.563 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 8.4 tm-20 -115.38 -27.79 7.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 114.285 -2.966 . . . . 2.36 109.646 -169.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.5 -34.11 64.32 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.004 -0.278 . . . . 1.93 110.495 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.66 -11.41 37.08 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.529 0.566 . . . . 1.26 112.529 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.563 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 16.0 t0 -63.92 94.63 0.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.48 1.133 . . . . 1.4 111.799 -171.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.83 -45.69 40.97 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 112.819 -1.991 . . . . 1.98 113.126 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.405 ' N ' HD22 ' B' ' 69' ' ' ASN . 0.9 OUTLIER -96.54 -0.29 49.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.579 -0.282 . . . . 2.25 111.265 -171.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.88 25.49 6.78 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.711 0.632 . . . . 1.14 110.423 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.42 19.93 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 1.95 109.315 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.491 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.65 47.93 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.034 . . . . 1.64 110.168 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -143.14 140.2 30.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.962 -1.017 . . . . 1.59 110.296 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 67' ' ' ASP . 32.3 mt -108.84 118.68 37.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.447 -0.342 . . . . 0.7 110.294 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . 0.605 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 48.2 t -69.32 158.1 35.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.696 -0.853 . . . . 1.41 108.696 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.797 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 31.9 p90 -52.96 -39.2 62.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.019 0.438 . . . . 3.06 111.322 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.603 ' O ' HG22 ' B' ' 80' ' ' ILE . 11.5 mt-10 -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 2.04 111.164 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' B' ' 75' ' ' SER . 3.8 mp0 -85.97 -37.71 18.72 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 112.242 0.46 . . . . 3.18 112.242 -175.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.797 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -73.02 -25.96 61.14 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.35 -0.94 . . . . 3.12 110.003 176.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.8 tp -67.38 -41.21 86.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.378 -0.601 . . . . 2.0 109.378 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 82.5 mmm -57.5 -31.36 65.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.489 -0.323 . . . . 2.01 111.422 171.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.7 tm? -64.44 -36.83 85.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.856 -0.794 . . . . 1.38 108.856 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.503 ' HE2' ' HA ' ' B' ' 83' ' ' MET . 23.8 mmt -62.21 -34.55 76.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.91 110.027 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.78 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -71.07 -37.51 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.35 110.739 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' B' ' 81' ' ' MET . 18.6 mtp180 -62.16 -40.26 95.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.289 -0.634 . . . . 1.67 109.289 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 57.1 mt -70.41 -25.11 63.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.601 -0.727 . . . . 1.68 110.155 174.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 54.4 m -69.73 -35.19 74.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.48 110.173 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.559 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 89.7 t90 -65.08 -36.89 85.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.78 -0.822 . . . . 3.49 108.78 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.83 -25.18 62.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.67 -0.695 . . . . 1.18 110.674 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -79.51 -22.06 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 1.74 110.49 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.95 -32.25 71.7 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.021 -1.103 . . . . 3.33 108.021 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.3 mm-40 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 114.719 -1.128 . . . . 3.29 109.856 174.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 3.7 ttt . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.367 -0.605 . . . . 2.68 109.367 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' B' ' 44' ' ' ASP . 10.2 t -76.71 174.01 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.207 -0.294 . . . . 1.22 110.207 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.19 -47.28 83.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.173 0.511 . . . . 2.47 110.676 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.838 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -69.33 -38.67 78.28 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.289 -0.869 . . . . 1.81 109.252 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.598 ' HG3' ' HB2' ' B' ' 48' ' ' PHE . 25.5 tt0 -59.93 -48.13 82.97 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.737 -0.665 . . . . 2.29 110.34 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -68.77 -35.33 76.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.668 -0.696 . . . . 3.54 111.204 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.838 ' ND2' ' HA ' ' A' ' 8' ' ' LEU . 14.0 p30 -67.25 -35.7 80.08 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.829 -0.349 . . . . 1.71 110.177 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 86.5 mt -64.94 -46.12 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.32 110.11 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.97 -33.59 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 1.95 111.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.8 m -57.92 -40.29 80.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.644 0.735 . . . . 0.44 109.278 174.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' OD1' ' B' ' 11' ' ' ASN . 9.5 mt -64.72 -52.07 59.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.044 -0.98 . . . . 0.42 110.799 174.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' B' ' 87' ' ' THR . 79.5 mt -58.65 -41.32 81.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.371 -0.831 . . . . 0.42 111.267 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.77 -40.77 98.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.871 0.367 . . . . 1.76 110.959 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.8 m -70.63 -50.3 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.8 110.526 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.531 ' CE1' ' HE2' ' A' ' 79' ' ' PHE . 11.4 m-30 -55.36 -41.61 72.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.558 0.694 . . . . 3.66 109.338 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 18.5 t-80 -55.87 -41.63 74.67 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.679 -1.146 . . . . 2.82 112.34 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 18' ' ' THR . 22.4 pt20 -71.19 -32.48 68.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.083 -0.647 . . . . 1.45 110.645 -172.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 40' ' ' LEU . 90.9 m-85 -78.86 -32.87 46.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.642 -0.423 . . . . 1.4 110.889 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 16.6 p -79.63 -34.93 40.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.143 0.497 . . . . 1.04 111.371 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.57 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.9 p -68.27 -3.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.756 -0.656 . . . . 0.69 111.265 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.91 -30.81 71.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.647 -0.501 . . . . 2.17 109.647 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 33' ' ' ASN . 75.6 mt -89.43 13.62 13.26 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.064 0.764 . . . . 2.04 113.064 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -118.72 5.66 Favored Glycine 0 N--CA 1.46 0.247 0 C-N-CA 120.5 -0.857 . . . . 1.43 111.568 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -58.05 106.02 0.63 Allowed Pre-proline 0 N--CA 1.465 0.307 0 N-CA-C 107.037 -1.468 . . . . 3.7 107.037 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 Cg_endo -77.99 48.29 2.61 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 CA-C-O 117.123 -1.282 . . . . 2.64 114.992 -152.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -71.87 4.27 3.5 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 122.749 2.522 . . . . 2.56 113.498 -153.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -154.98 158.16 38.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.952 0.406 . . . . 1.4 111.88 -170.042 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.65 119.77 40.36 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.013 -1.106 . . . . 0.73 108.013 159.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 33.6 m-20 -79.64 170.76 16.08 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.577 -0.849 . . . . 2.37 110.239 -177.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' N ' ' HE3' ' A' ' 63' ' ' MET . 50.3 tt0 -51.42 -40.56 59.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 1.42 111.568 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.81 -42.09 39.73 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.237 -0.745 . . . . 0.44 111.237 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 3.8 mp0 -64.54 -39.38 93.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.112 -0.544 . . . . 2.0 110.289 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 71.8 t80 -57.78 -53.36 59.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.47 110.623 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.06 97.8 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.821 -0.627 . . . . 1.38 110.669 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 5.9 tp10 -60.82 -45.47 94.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.264 -0.425 . . . . 1.74 110.936 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 22' ' ' TYR . 3.0 tm? -58.81 -53.76 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.43 -0.581 . . . . 1.43 109.43 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.614 HG13 HD12 ' A' ' 49' ' ' LEU . 76.8 t -58.66 -38.48 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.677 -0.692 . . . . 0.4 110.91 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 31.1 ttt180 -65.21 -32.69 74.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.143 -0.935 . . . . 3.25 112.919 -173.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HZ2' ' HG3' ' A' ' 39' ' ' GLU . 10.9 mtmm -123.9 -27.04 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.968 -0.693 . . . . 2.33 112.707 -171.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' B' ' 6' ' ' SER . 5.0 m-20 -99.43 -34.26 10.35 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.437 0.637 . . . . 1.88 110.043 -174.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 84.9 mt -100.93 5.8 43.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.962 -1.017 . . . . 0.44 110.796 174.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 10.6 pt20 -49.8 -23.87 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 50' ' ' LYS . 6.5 t30 -103.29 -38.02 7.41 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.411 -0.515 . . . . 2.14 110.492 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' HB2' ' HG3' ' B' ' 9' ' ' GLU . 4.4 t80 -65.49 -36.16 83.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.914 0.864 . . . . 1.91 109.323 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 41' ' ' VAL . 39.7 mt -110.93 23.75 13.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.888 -1.051 . . . . 0.61 109.781 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' A' ' 46' ' ' GLN . 2.0 tpmt? -45.2 -56.27 4.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.901 -0.591 . . . . 2.16 111.712 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HD2' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.63 -33.2 73.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.004 -0.544 . . . . 1.25 111.633 -178.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.624 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 16.2 mt-10 -75.72 -32.76 60.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.413 -0.358 . . . . 2.13 110.969 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.599 ' ND2' ' HA ' ' A' ' 46' ' ' GLN . 5.8 m-20 -66.61 -18.62 65.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.7 111.156 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.36 -1.55 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.348 0.594 . . . . 3.34 110.33 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -122.14 147.08 46.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 1.92 109.581 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.9 tp10 -87.42 -51.6 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.08 0.467 . . . . 2.46 110.098 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.25 -30.16 71.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.422 -0.808 . . . . 2.5 112.597 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 52' ' ' GLU . 38.6 t -64.17 -42.66 96.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.431 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 HG11 ' A' ' 41' ' ' VAL . 20.5 mm -70.56 -35.63 62.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 1.05 109.905 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 10.4 mm-40 -61.03 -37.83 83.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.875 -0.602 . . . . 1.86 109.981 176.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -67.05 -49.09 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.283 -0.871 . . . . 1.87 110.646 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 48.6 mt -63.55 -34.5 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.246 0.546 . . . . 1.18 110.143 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.627 ' HE1' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -58.76 -52.45 65.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.742 -1.117 . . . . 1.05 110.764 177.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.52 -29.1 10.89 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 114.947 -2.701 . . . . 2.37 110.003 -165.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.0 -38.23 72.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.483 -0.487 . . . . 1.93 110.268 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 10.7 mp -72.23 -34.41 68.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.599 0.238 . . . . 1.26 111.571 174.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -65.85 92.29 0.16 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.686 0.755 . . . . 1.39 110.581 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.9 m -60.45 -25.22 65.84 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.64 -1.163 . . . . 1.98 111.564 175.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.86 -4.14 56.81 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.749 -0.38 . . . . 2.25 110.188 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.69 34.89 5.51 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.602 0.964 . . . . 1.15 113.602 169.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -116.53 14.82 15.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.382 0.61 . . . . 1.95 110.414 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.802 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 65.88 37.73 5.37 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.117 -0.947 . . . . 1.64 109.763 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 46.8 mt-30 -144.16 140.41 29.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.903 -1.498 . . . . 1.59 108.373 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 63.2 mt -117.69 116.01 26.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.479 -0.488 . . . . 0.7 110.92 -174.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -69.17 151.64 46.1 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.449 -1.685 . . . . 1.42 106.449 171.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.743 ' O ' HG23 ' A' ' 80' ' ' ILE . 23.0 p90 -48.9 -40.79 31.24 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.81 -0.356 . . . . 3.07 111.671 -175.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp0 -58.95 -36.36 74.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 2.03 111.621 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.67 -38.74 80.6 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.925 0.869 . . . . 3.18 109.66 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 24.0 t80 -76.76 -40.98 46.59 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.498 -0.774 . . . . 3.12 111.589 -173.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -66.55 -30.82 51.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 119.55 -0.86 . . . . 2.0 109.689 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.596 ' H ' HD13 ' A' ' 80' ' ' ILE . 80.6 mtp -54.07 -36.99 63.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.982 -0.554 . . . . 2.01 111.431 167.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 45.2 tp -58.88 -38.92 79.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.108 0.48 . . . . 1.38 109.933 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -62.7 -20.95 65.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.91 111.073 176.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.741 ' HB2' HD12 ' B' ' 80' ' ' ILE . . . -75.99 -37.72 58.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.26 0.552 . . . . 0.35 110.152 174.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 85' ' ' ARG . 10.7 mtp180 -62.76 -38.72 91.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.29 -0.868 . . . . 1.67 108.771 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD22 ' CD1' ' A' ' 48' ' ' PHE . 35.5 mt -70.74 -30.46 66.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.869 -1.06 . . . . 1.68 109.878 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 16' ' ' ILE . 38.0 m -64.21 -38.15 90.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.483 -0.487 . . . . 0.48 109.866 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' O ' ' HB3' ' A' ' 91' ' ' HIS . 84.7 t90 -66.23 -36.07 82.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 3.49 110.678 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -47.57 65.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.826 0.346 . . . . 1.18 111.573 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' HD13 ' B' ' 16' ' ' ILE . 20.6 t -72.74 -23.85 60.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.972 0.415 . . . . 1.74 110.091 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 10.9 t60 -58.11 -37.58 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.48 -0.563 . . . . 3.33 109.48 172.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 27.7 mm-40 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.206 -0.906 . . . . 3.3 110.793 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.488 ' HG3' ' OE2' ' B' ' 9' ' ' GLU . 3.7 ttt . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 109.415 -0.587 . . . . 2.68 109.415 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 44' ' ' ASP . 13.8 t -76.49 174.0 10.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.259 -0.274 . . . . 1.22 110.259 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -58.18 -47.29 83.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.198 0.523 . . . . 2.47 110.592 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.835 ' HA ' ' ND2' ' B' ' 11' ' ' ASN . 0.7 OUTLIER -69.52 -38.72 77.67 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.194 -0.912 . . . . 1.81 109.19 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.603 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 25.3 tt0 -59.72 -48.21 82.58 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.751 -0.659 . . . . 2.28 110.449 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.71 -35.49 77.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.77 . . . . 3.54 111.234 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.835 ' ND2' ' HA ' ' B' ' 8' ' ' LEU . 13.9 p30 -67.01 -35.81 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.115 -0.328 . . . . 1.7 110.115 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 8' ' ' LEU . 86.4 mt -64.87 -46.25 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.396 -0.365 . . . . 0.33 110.122 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.0 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 1.95 111.19 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.2 m -57.95 -40.23 80.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.675 0.75 . . . . 0.44 109.298 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.56 HG12 ' OD1' ' A' ' 11' ' ' ASN . 9.5 mt -64.88 -52.02 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.962 -1.017 . . . . 0.42 110.79 175.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 87' ' ' THR . 79.3 mt -58.73 -41.17 81.7 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 115.355 -0.838 . . . . 0.42 111.321 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.62 -41.04 98.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 1.76 110.939 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 8' ' ' LEU . 21.9 m -70.35 -50.3 40.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 0.8 110.578 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HE2' ' B' ' 79' ' ' PHE . 11.5 m-30 -55.45 -41.5 72.98 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.539 0.685 . . . . 3.66 109.383 176.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.439 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 18.0 t-80 -55.92 -41.63 74.85 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.622 -1.172 . . . . 2.83 112.336 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 18' ' ' THR . 22.6 pt20 -71.26 -32.43 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.204 -0.598 . . . . 1.45 110.634 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.516 ' CE1' HD23 ' B' ' 40' ' ' LEU . 90.8 m-85 -78.87 -32.86 46.1 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.68 -0.408 . . . . 1.4 110.987 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.635 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 17.1 p -79.76 -34.63 39.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.11 0.481 . . . . 1.04 111.373 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -68.56 -3.97 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.749 -0.659 . . . . 0.69 111.292 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.06 -30.68 71.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.684 -0.488 . . . . 2.17 109.684 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.418 HD11 HD21 ' B' ' 33' ' ' ASN . 75.2 mt -89.41 13.35 13.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.986 0.736 . . . . 2.04 112.986 174.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.09 -118.64 5.69 Favored Glycine 0 N--CA 1.461 0.349 0 C-N-CA 120.482 -0.866 . . . . 1.43 111.59 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -58.21 105.79 0.6 Allowed Pre-proline 0 N--CA 1.464 0.254 0 N-CA-C 106.985 -1.487 . . . . 3.7 106.985 166.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.635 ' O ' ' HB2' ' B' ' 23' ' ' SER . 41.2 Cg_endo -77.86 48.02 2.51 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-O 117.131 -1.279 . . . . 2.64 114.981 -152.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.06 4.9 3.06 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 122.718 2.508 . . . . 2.56 113.479 -153.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 74' ' ' LEU . 0.9 OUTLIER -155.26 158.17 38.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.034 0.445 . . . . 1.4 111.922 -170.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -107.7 119.7 40.17 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.038 -1.097 . . . . 0.73 108.038 159.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 34.2 m-20 -79.64 170.73 16.12 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.486 -0.885 . . . . 2.37 110.247 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.408 ' N ' ' HE3' ' B' ' 63' ' ' MET . 50.0 tt0 -51.26 -40.76 59.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.895 0.379 . . . . 1.42 111.58 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.67 40.01 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.184 -0.766 . . . . 0.44 111.184 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.4 mp0 -64.82 -39.29 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.153 -0.524 . . . . 2.01 110.289 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.43 ' CD2' ' HE1' ' B' ' 79' ' ' PHE . 71.2 t80 -57.95 -53.21 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 1.47 110.634 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.04 97.75 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.892 -0.595 . . . . 1.39 110.793 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' HZ2' ' B' ' 43' ' ' LYS . 5.9 tp10 -60.97 -45.44 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 1.75 110.98 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.516 HD23 ' CE1' ' B' ' 22' ' ' TYR . 3.0 tm? -58.73 -53.75 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 178.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.628 HG13 HD12 ' B' ' 49' ' ' LEU . 77.1 t -58.69 -38.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.4 110.86 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 31.3 ttt180 -65.39 -32.53 74.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.154 -0.93 . . . . 3.25 112.932 -173.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.517 ' HZ2' ' HG3' ' B' ' 39' ' ' GLU . 10.9 mtmm -124.0 -26.97 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.99 -0.684 . . . . 2.33 112.844 -171.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 6' ' ' SER . 5.2 m-20 -99.38 -34.38 10.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.39 0.614 . . . . 1.87 110.149 -174.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 85.1 mt -100.92 5.8 43.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.44 110.786 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' B' ' 50' ' ' LYS . 10.5 pt20 -49.81 -24.02 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' B' ' 50' ' ' LYS . 6.4 t30 -103.41 -37.45 7.61 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.365 -0.534 . . . . 2.14 110.498 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.598 ' HB2' ' HG3' ' A' ' 9' ' ' GLU . 4.6 t80 -65.85 -36.59 83.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.851 0.834 . . . . 1.92 109.168 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.628 HD12 HG13 ' B' ' 41' ' ' VAL . 40.3 mt -110.61 23.87 13.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.865 -1.061 . . . . 0.61 109.886 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' B' ' 46' ' ' GLN . 2.0 tpmt? -45.09 -56.37 4.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.873 -0.603 . . . . 2.15 111.679 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.63 ' HD2' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -61.77 -32.91 73.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 1.25 111.707 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.63 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 15.8 mt-10 -75.99 -32.63 59.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.916 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.59 ' ND2' ' HA ' ' B' ' 46' ' ' GLN . 5.9 m-20 -66.47 -19.23 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 1.7 110.965 -178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.04 -1.12 54.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.246 0.546 . . . . 3.34 110.373 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.46 147.2 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.979 -0.555 . . . . 1.92 109.577 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 tp10 -87.5 -51.57 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 2.46 110.188 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.29 -30.35 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 2.5 112.541 -171.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' B' ' 52' ' ' GLU . 38.6 t -64.02 -42.69 96.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.207 -0.451 . . . . 0.66 110.46 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.457 HD12 HG11 ' B' ' 41' ' ' VAL . 20.6 mm -70.75 -35.65 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.05 109.918 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 10.1 mm-40 -60.86 -37.79 83.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 1.85 110.052 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -66.98 -49.26 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 1.87 110.533 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 48.1 mt -63.56 -34.33 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 1.18 110.197 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.538 ' HE1' ' HG ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -58.9 -52.57 65.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.785 -1.098 . . . . 1.05 110.781 177.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.38 -29.08 10.97 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 114.92 -2.712 . . . . 2.36 109.951 -165.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 -38.32 73.01 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.523 -0.471 . . . . 1.93 110.402 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 10.6 mp -72.33 -34.24 67.9 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.583 0.23 . . . . 1.26 111.537 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.79 92.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.725 0.774 . . . . 1.4 110.456 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 m -60.98 -25.07 66.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.6 -1.182 . . . . 1.98 111.531 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -91.05 -4.22 56.53 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.802 -0.359 . . . . 2.25 110.221 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.59 35.16 5.71 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.612 0.967 . . . . 1.14 113.612 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -116.71 14.7 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.408 0.623 . . . . 1.95 110.258 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.798 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.1 OUTLIER 65.91 37.84 5.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.156 -0.929 . . . . 1.64 109.783 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 47.1 mt-30 -144.07 140.49 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.961 -1.472 . . . . 1.59 108.325 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.538 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 63.3 mt -117.66 116.05 26.29 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.524 -0.471 . . . . 0.7 110.903 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 10.1 t -69.15 151.68 46.07 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.576 -1.639 . . . . 1.41 106.576 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.738 ' O ' HG23 ' B' ' 80' ' ' ILE . 22.8 p90 -48.78 -40.89 30.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.029 0.377 . . . . 3.06 111.648 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' B' ' 80' ' ' ILE . 4.1 mp0 -58.95 -36.27 74.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.916 0.388 . . . . 2.04 111.585 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.87 -38.84 79.99 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.888 0.851 . . . . 3.18 109.52 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 24.0 t80 -76.72 -41.1 46.48 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.569 -0.741 . . . . 3.12 111.607 -173.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -66.29 -30.91 51.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 119.592 -0.843 . . . . 2.0 109.701 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.603 ' H ' HD13 ' B' ' 80' ' ' ILE . 81.9 mtp -54.12 -36.93 63.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 2.01 111.577 167.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 45.0 tp -58.83 -38.98 79.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.38 109.952 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.581 ' HB2' ' O ' ' B' ' 80' ' ' ILE . 0.0 OUTLIER -62.67 -21.02 65.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.91 111.015 176.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 80' ' ' ILE . . . -75.8 -37.84 58.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.364 0.602 . . . . 0.35 110.06 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 82' ' ' LEU . 10.9 mtp180 -62.74 -38.78 91.87 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.31 -0.859 . . . . 1.67 108.79 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 48' ' ' PHE . 35.2 mt -70.67 -30.51 67.12 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.841 -1.072 . . . . 1.68 110.019 174.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 37.8 m -64.14 -38.15 90.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.445 -0.502 . . . . 0.48 109.843 175.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.522 ' O ' ' HB3' ' B' ' 91' ' ' HIS . 84.2 t90 -66.28 -36.13 82.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 3.49 110.687 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.57 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.882 -0.327 . . . . 1.18 111.531 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 16' ' ' ILE . 19.0 t -72.71 -23.81 60.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.946 0.403 . . . . 1.74 110.181 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 11.0 t60 -58.15 -37.78 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.432 -0.581 . . . . 3.33 109.432 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 26.4 mm-40 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.099 -0.955 . . . . 3.29 110.72 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtm . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 121.405 0.621 . . . . 2.68 112.349 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -80.78 178.48 8.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.96 -1.018 . . . . 1.22 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.9 tp-100 -56.24 -45.09 80.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.135 -0.32 . . . . 2.47 110.135 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.8 tp -62.84 -45.51 92.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.506 . . . . 1.81 110.966 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.711 ' OE2' ' HB2' ' B' ' 48' ' ' PHE . 1.6 mm-40 -61.2 -50.64 72.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.237 0.542 . . . . 2.29 110.388 -176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 25.3 mmt180 -60.71 -37.53 82.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.265 -0.879 . . . . 3.54 110.488 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.72 ' ND2' HG13 ' B' ' 15' ' ' ILE . 4.1 t30 -69.62 -44.44 70.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.739 -1.119 . . . . 1.71 110.717 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 8' ' ' LEU . 94.7 mt -61.13 -47.78 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 0.32 110.634 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -63.82 -32.48 74.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 1.95 111.093 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.7 m -58.4 -43.52 88.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 121.086 -0.245 . . . . 0.44 110.872 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.725 HG13 ' ND2' ' B' ' 11' ' ' ASN . 63.2 mt -64.77 -46.29 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.952 0.406 . . . . 0.42 110.438 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 76.5 mt -59.46 -40.49 81.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.42 110.671 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 73.1 m-20 -70.1 -31.37 68.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.76 112.012 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 45.2 m -69.07 -50.34 49.23 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.386 0.612 . . . . 0.8 109.57 177.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -54.31 -43.45 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.511 -0.768 . . . . 3.66 108.964 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CD2' ' HG3' ' A' ' 29' ' ' PRO . 13.4 t-160 -55.28 -51.22 67.38 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.805 -1.089 . . . . 2.82 112.048 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.8 pt20 -66.51 -32.95 74.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.919 0.34 . . . . 1.45 111.919 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD2' HD23 ' A' ' 40' ' ' LEU . 89.3 m-85 -79.16 -33.53 43.98 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.094 -0.642 . . . . 1.4 111.059 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.625 ' OG ' ' HG ' ' A' ' 32' ' ' LEU . 18.5 m -77.57 -28.55 51.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.472 0.653 . . . . 1.04 110.75 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.5 p -74.81 -2.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.69 111.625 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 82.4 mttt -59.62 -23.91 63.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 120.552 -0.459 . . . . 2.17 110.566 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 33' ' ' ASN . 5.3 mp -87.66 -19.01 28.29 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.22 0.452 . . . . 2.04 112.22 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.42 141.66 5.19 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 110.703 -0.959 . . . . 1.43 110.703 -170.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 38.77 80.04 0.29 Allowed Pre-proline 0 N--CA 1.481 1.076 0 N-CA-C 108.085 -1.08 . . . . 3.7 108.085 -166.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 49.6 Cg_endo -74.65 40.51 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.438 0 N-CA-C 116.586 1.726 . . . . 2.64 116.586 -146.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -72.16 7.92 1.51 Allowed 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 123.5 2.864 . . . . 2.56 113.497 -149.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 41.7 p -154.48 147.65 24.78 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.058 0.543 . . . . 1.4 110.918 -166.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 ' HG ' ' OG ' ' A' ' 23' ' ' SER . 17.3 mt -105.31 121.01 42.99 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.035 -1.098 . . . . 0.73 108.035 159.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.607 HD21 HD21 ' A' ' 26' ' ' LEU . 15.6 m-80 -80.6 176.92 9.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.302 -1.359 . . . . 2.37 109.171 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.704 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 54.3 tt0 -54.78 -42.41 71.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.177 -0.465 . . . . 1.42 111.181 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.82 -40.73 51.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.831 -0.699 . . . . 0.44 112.159 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG3' ' HD2' ' A' ' 25' ' ' LYS . 1.9 mp0 -67.53 -39.39 85.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.541 -0.329 . . . . 2.0 110.709 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' A' ' 74' ' ' LEU . 54.4 t80 -65.52 -43.75 89.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 1.47 110.9 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' A' ' 34' ' ' GLN . 2.7 mptm? -53.6 -43.42 68.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.737 -0.468 . . . . 1.38 109.737 175.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.32 -45.09 85.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.363 -0.835 . . . . 1.74 111.273 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.7 tm? -59.31 -46.89 87.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.717 -0.475 . . . . 1.43 109.717 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 85.3 t -58.52 -36.39 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.4 110.965 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 12.2 mmm180 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.567 0.58 . . . . 3.25 112.567 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -103.0 -45.67 4.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.712 1.004 . . . . 2.33 113.712 -169.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -43.56 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.737 -0.785 . . . . 1.88 111.222 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 75.9 mt -80.35 3.52 20.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.259 0.552 . . . . 0.44 111.055 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 8.7 pt20 -51.62 -22.32 3.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.263 -0.88 . . . . 1.46 112.051 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -100.61 -50.65 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 2.14 110.975 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.71 ' HB2' ' OE2' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.77 -32.33 69.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.458 0.647 . . . . 1.91 109.743 -174.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 45' ' ' LEU . 71.1 mt -110.17 21.48 16.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.625 -0.716 . . . . 0.61 111.369 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.03 -41.34 34.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.876 0.695 . . . . 2.16 112.876 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -63.02 -39.47 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.481 0.658 . . . . 1.25 110.326 -178.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 29.9 tt0 -74.16 -32.7 63.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.079 -0.964 . . . . 2.13 110.232 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.719 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 24.3 t-20 -62.18 -21.46 65.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.872 -1.058 . . . . 1.7 111.383 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 14.7 tmtt? -82.51 -16.76 47.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.732 -0.667 . . . . 3.34 110.863 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -125.96 145.9 50.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.937 -0.394 . . . . 1.92 109.937 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 36.4 tt0 -82.04 -41.29 20.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.871 0.367 . . . . 2.46 110.497 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.69 -32.4 72.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 2.5 111.958 -171.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 6.4 t -67.86 -39.72 82.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.183 0.516 . . . . 0.66 109.702 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.89 -34.46 64.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.425 -0.807 . . . . 1.05 110.386 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' HG2' ' CE ' ' A' ' 38' ' ' LYS . 8.7 mt-10 -65.05 -34.55 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 1.86 110.433 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.61 -47.81 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.562 -0.533 . . . . 1.87 109.562 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 47.8 mm -62.67 -33.98 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.435 0.636 . . . . 1.18 110.557 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.529 ' O ' HD21 ' A' ' 74' ' ' LEU . 13.4 tpt -59.23 -49.26 78.52 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 114.594 -1.184 . . . . 1.05 111.74 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 tm-20 -107.72 -28.54 9.64 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 114.656 -2.818 . . . . 2.37 109.265 -166.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.94 -34.15 65.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.547 -0.461 . . . . 1.93 110.069 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 7.6 mp -93.54 -12.18 30.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.67 0.619 . . . . 1.26 112.67 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 21.0 t0 -62.46 84.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.292 1.044 . . . . 1.39 110.266 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -65.99 -33.9 76.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.493 -1.685 . . . . 1.98 112.129 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.31 -2.31 58.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.437 0.637 . . . . 2.25 109.591 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.37 23.92 7.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.809 -1.087 . . . . 1.15 113.667 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.1 22.87 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.191 -0.318 . . . . 1.95 111.205 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 66.32 43.31 2.75 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.629 0.728 . . . . 1.64 110.204 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -144.67 140.07 28.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.689 -1.141 . . . . 1.59 108.803 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CD ' ' A' ' 78' ' ' GLU . 16.0 mt -111.92 116.84 31.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.183 0.516 . . . . 0.7 111.227 -174.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 25.3 t -97.29 150.14 21.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.825 -1.176 . . . . 1.42 107.825 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' O ' HG23 ' A' ' 80' ' ' ILE . 17.9 t80 -45.6 -34.28 3.3 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.825 1.046 . . . . 3.07 113.825 -169.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.818 ' O ' HG12 ' A' ' 80' ' ' ILE . 2.2 mp0 -56.58 -28.21 59.75 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.954 0.883 . . . . 2.03 109.962 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.586 ' CD ' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.02 -44.58 79.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.489 0.661 . . . . 3.18 109.833 172.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 83' ' ' MET . 16.4 t80 -70.51 -29.08 65.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.887 -1.051 . . . . 3.12 110.308 -173.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.97 HD13 ' HB2' ' B' ' 84' ' ' ALA . 5.9 pt -64.93 -45.76 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.021 -0.733 . . . . 2.0 109.021 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.865 ' HA ' HD12 ' B' ' 80' ' ' ILE . 0.4 OUTLIER -52.46 -38.12 58.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.119 0.485 . . . . 2.01 110.206 172.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.91 -36.48 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 1.38 110.245 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 33.1 mmt -59.69 -29.85 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.91 110.27 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.971 ' HB2' HD13 ' B' ' 80' ' ' ILE . . . -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.144 0.497 . . . . 0.35 110.48 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 14.5 mtp180 -67.78 -37.2 81.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.781 -0.645 . . . . 1.67 109.618 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.441 HD21 HD21 ' A' ' 49' ' ' LEU . 80.9 mt -69.12 -28.01 66.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.752 -0.658 . . . . 1.68 109.749 172.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 28.4 m -69.84 -28.37 65.62 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.166 -0.47 . . . . 0.48 110.841 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -68.78 -37.02 79.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.605 0.717 . . . . 3.49 109.229 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 1.18 110.072 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -86.59 -2.08 58.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.983 -0.553 . . . . 1.74 110.057 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -84.63 -33.05 23.38 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.183 -1.043 . . . . 3.33 108.183 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.925 -1.034 . . . . 3.3 110.535 170.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtm . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.454 0.645 . . . . 2.68 112.322 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -80.77 178.42 8.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.842 -1.072 . . . . 1.22 109.58 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp-100 -56.45 -44.96 81.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.096 -0.335 . . . . 2.47 110.096 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.534 ' O ' HG13 ' B' ' 12' ' ' ILE . 22.8 tp -62.92 -45.32 93.05 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.21 -0.45 . . . . 1.81 111.018 -178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.71 ' OE2' ' HB2' ' A' ' 48' ' ' PHE . 1.6 mm-40 -61.28 -50.58 72.45 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.234 0.54 . . . . 2.28 110.484 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 25.3 mmt180 -60.68 -37.61 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 3.54 110.407 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.725 ' ND2' HG13 ' A' ' 15' ' ' ILE . 4.3 t30 -69.55 -44.48 70.84 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.692 -1.14 . . . . 1.7 110.743 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 8' ' ' LEU . 94.1 mt -61.21 -47.69 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.662 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -63.76 -32.59 74.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.091 -0.504 . . . . 1.95 111.081 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 93.9 m -58.34 -43.49 88.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.7 0.286 . . . . 0.44 110.978 176.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.72 HG13 ' ND2' ' A' ' 11' ' ' ASN . 63.3 mt -64.91 -46.08 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.949 0.404 . . . . 0.42 110.406 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 76.0 mt -59.49 -40.64 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.561 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 73.5 m-20 -70.16 -31.29 68.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.277 -0.42 . . . . 1.76 112.032 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 38.8 m -68.89 -50.47 49.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.457 0.646 . . . . 0.8 109.645 177.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.23 -43.38 70.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.418 -0.81 . . . . 3.66 109.035 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.591 ' CD2' ' HG3' ' B' ' 29' ' ' PRO . 13.4 t-160 -55.47 -51.26 67.53 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.722 -1.126 . . . . 2.83 112.039 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.8 pt20 -66.41 -32.79 74.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.918 0.34 . . . . 1.45 111.918 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 40' ' ' LEU . 89.3 m-85 -79.28 -33.48 43.35 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.116 -0.634 . . . . 1.4 111.081 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.619 ' OG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 m -77.72 -28.46 50.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.513 0.673 . . . . 1.04 110.776 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.648 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -75.0 -2.35 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.69 111.658 -175.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.573 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 82.2 mttt -59.76 -24.18 63.85 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.655 -0.418 . . . . 2.17 110.468 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 33' ' ' ASN . 5.3 mp -87.56 -19.23 28.13 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.237 0.458 . . . . 2.04 112.237 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.68 141.69 5.37 Favored Glycine 0 N--CA 1.461 0.361 0 CA-C-O 118.822 -0.988 . . . . 1.43 110.735 -170.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 38.75 79.87 0.3 Allowed Pre-proline 0 N--CA 1.479 0.99 0 N-CA-C 108.071 -1.085 . . . . 3.7 108.071 -166.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.648 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 50.3 Cg_endo -74.58 40.53 0.63 Allowed 'Trans proline' 0 CA--C 1.515 -0.439 0 N-CA-C 116.562 1.716 . . . . 2.64 116.562 -145.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -72.11 7.87 1.51 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 123.515 2.871 . . . . 2.56 113.46 -149.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' PRO . 43.1 p -154.42 147.49 24.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.146 0.579 . . . . 1.4 111.008 -165.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.619 ' HG ' ' OG ' ' B' ' 23' ' ' SER . 17.3 mt -105.3 121.03 43.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.97 -1.122 . . . . 0.73 107.97 159.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.613 HD21 HD21 ' B' ' 26' ' ' LEU . 14.3 m-80 -80.62 176.92 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.373 -1.331 . . . . 2.37 109.088 175.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.708 ' O ' ' HD3' ' B' ' 38' ' ' LYS . 54.9 tt0 -55.0 -42.32 72.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.147 -0.479 . . . . 1.42 111.072 -174.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.78 -40.83 51.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.928 -0.653 . . . . 0.44 112.17 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.573 ' HG3' ' HD2' ' B' ' 25' ' ' LYS . 2.0 mp0 -67.53 -39.39 85.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.323 . . . . 2.01 110.733 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' B' ' 74' ' ' LEU . 54.2 t80 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.47 110.933 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.708 ' HD3' ' O ' ' B' ' 34' ' ' GLN . 2.7 mptm? -53.69 -43.24 68.76 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.781 -0.452 . . . . 1.39 109.781 175.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.47 -44.84 85.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.4 -0.818 . . . . 1.75 111.399 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.7 tm? -59.59 -46.77 87.95 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.615 -0.513 . . . . 1.43 109.615 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 84.6 t -58.61 -36.48 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.4 110.873 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.703 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 12.1 mmm180 -74.64 -31.33 61.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 112.537 0.569 . . . . 3.25 112.537 -173.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.78 -45.68 4.93 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.66 0.985 . . . . 2.33 113.66 -169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.61 -43.42 6.84 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.714 -0.795 . . . . 1.87 111.29 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.618 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 75.8 mt -80.41 3.51 21.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.696 0.623 . . . . 0.44 111.05 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 8.8 pt20 -51.53 -22.41 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.302 -0.863 . . . . 1.46 111.993 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -100.61 -50.62 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 2.14 110.978 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.711 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -70.74 -32.2 69.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.489 0.661 . . . . 1.92 109.812 -174.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' B' ' 45' ' ' LEU . 70.1 mt -110.33 21.47 16.66 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.578 -0.737 . . . . 0.61 111.389 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.13 -41.07 34.92 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.843 0.683 . . . . 2.15 112.843 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -63.04 -39.93 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.637 . . . . 1.25 110.279 -179.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.462 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 30.5 tt0 -73.95 -32.39 63.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.168 -0.923 . . . . 2.13 110.19 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.703 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 24.3 t-20 -62.24 -21.69 65.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.92 -1.036 . . . . 1.7 111.437 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 54' ' ' LYS . 14.8 tmtt? -82.33 -17.18 46.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 3.34 110.784 -173.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.54 146.15 49.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.879 -0.415 . . . . 1.92 109.879 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 36.6 tt0 -82.37 -41.43 19.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.846 0.355 . . . . 2.46 110.469 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.66 -32.35 72.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.671 . . . . 2.5 111.95 -171.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 6.2 t -67.86 -39.64 82.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.256 0.55 . . . . 0.66 109.729 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.04 -34.3 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 1.05 110.384 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.517 ' HG2' ' CE ' ' B' ' 38' ' ' LYS . 8.4 mt-10 -65.11 -34.74 79.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 1.85 110.483 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.45 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.617 -0.512 . . . . 1.87 109.617 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 47.7 mm -62.74 -33.8 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.648 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.531 ' O ' HD21 ' B' ' 74' ' ' LEU . 13.4 tpt -59.42 -49.28 78.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.612 -1.177 . . . . 1.05 111.663 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 6.4 tm-20 -107.63 -28.64 9.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 114.71 -2.796 . . . . 2.36 109.387 -166.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.09 -33.87 65.48 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.628 -0.429 . . . . 1.93 110.13 170.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.525 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 7.6 mp -93.58 -12.14 30.21 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.747 0.647 . . . . 1.26 112.747 175.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.488 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.3 t0 -62.5 84.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 122.188 0.994 . . . . 1.4 110.449 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.8 t -65.6 -33.85 76.86 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.65 -1.614 . . . . 1.98 112.105 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -88.35 -2.29 58.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.453 0.644 . . . . 2.25 109.664 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.49 24.01 8.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.65 -1.159 . . . . 1.14 113.605 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.19 22.93 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.086 -0.245 . . . . 1.95 111.206 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 66.23 43.32 2.83 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.628 0.727 . . . . 1.64 110.298 -179.628 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.74 140.12 28.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.631 -1.168 . . . . 1.59 108.797 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.581 ' HB3' ' CD ' ' B' ' 78' ' ' GLU . 16.1 mt -111.87 116.99 31.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.23 0.538 . . . . 0.7 111.327 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' B' ' 78' ' ' GLU . 25.4 t -97.43 150.06 21.45 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.911 -1.144 . . . . 1.41 107.911 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.586 ' O ' HG23 ' B' ' 80' ' ' ILE . 17.7 t80 -45.63 -34.14 3.28 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.916 1.08 . . . . 3.06 113.916 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' B' ' 80' ' ' ILE . 2.2 mp0 -56.6 -28.4 60.26 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 122.029 0.919 . . . . 2.04 109.983 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.581 ' CD ' ' HB3' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -66.74 -44.56 81.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.609 0.718 . . . . 3.18 109.938 172.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' B' ' 83' ' ' MET . 16.3 t80 -70.61 -29.02 65.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.817 -1.083 . . . . 3.12 110.4 -173.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' A' ' 84' ' ' ALA . 5.9 pt -64.91 -45.97 93.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.954 -0.758 . . . . 2.0 108.954 175.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.884 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -52.23 -38.15 57.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.061 0.458 . . . . 2.01 110.223 172.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.94 -36.42 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 1.38 110.259 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 33.1 mmt -59.73 -29.85 68.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.91 110.272 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.97 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -74.76 -38.87 62.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.211 0.529 . . . . 0.35 110.563 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' B' ' 81' ' ' MET . 14.6 mtp180 -67.98 -37.0 80.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.66 -0.7 . . . . 1.67 109.637 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.438 HD21 HD21 ' B' ' 49' ' ' LEU . 80.9 mt -69.28 -28.0 65.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 1.68 109.714 172.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 28.0 m -69.88 -28.36 65.58 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.236 -0.438 . . . . 0.48 110.868 174.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -68.68 -37.1 79.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.595 0.712 . . . . 3.49 109.293 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.865 0.841 . . . . 1.18 110.144 174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -86.5 -2.22 58.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.763 -0.653 . . . . 1.74 109.955 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -84.47 -33.11 23.68 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.241 -1.022 . . . . 3.33 108.241 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 114.905 -1.043 . . . . 3.29 110.527 170.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtm . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.238 0.542 . . . . 2.68 110.754 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.59 176.48 9.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.884 -1.053 . . . . 1.22 110.704 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.26 -45.55 83.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.169 0.509 . . . . 2.47 109.953 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG13 ' A' ' 12' ' ' ILE . 24.9 tp -64.63 -44.39 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.047 -0.979 . . . . 1.81 111.118 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 55.6 mt-10 -66.31 -51.48 56.91 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.078 0.77 . . . . 2.29 113.078 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.5 -34.2 73.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.282 0.563 . . . . 3.54 109.743 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.62 ' OD1' HG13 ' B' ' 15' ' ' ILE . 12.5 t-20 -64.04 -50.15 69.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.161 -0.927 . . . . 1.71 110.194 177.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 8' ' ' LEU . 82.3 mt -59.94 -40.39 82.83 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.32 110.325 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -60.38 -35.34 75.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 1.95 110.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.3 m -62.67 -45.87 90.8 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.127 0.489 . . . . 0.44 110.355 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 ' OD1' ' B' ' 11' ' ' ASN . 31.1 mt -63.01 -48.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.42 111.01 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.26 -42.77 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.763 -0.653 . . . . 0.42 110.702 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.12 -45.32 92.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.665 -0.698 . . . . 1.76 110.924 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.635 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.5 m -62.15 -50.37 72.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.8 111.106 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 9.9 m-30 -57.65 -41.81 82.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.083 0.468 . . . . 3.66 110.254 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.65 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 16.6 m80 -70.82 -37.76 73.23 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.653 -0.703 . . . . 2.82 112.786 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 18' ' ' THR . 28.3 pt20 -64.24 -33.38 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.493 -0.483 . . . . 1.45 110.624 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' HD1' ' O ' ' A' ' 18' ' ' THR . 76.3 m-85 -79.18 -34.22 43.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.963 -0.295 . . . . 1.4 111.433 175.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.65 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 4.0 p -78.14 -33.91 50.16 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.378 0.609 . . . . 1.04 111.443 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 28' ' ' HIS . 5.3 p -73.69 -5.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.69 110.348 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 97.7 mttt -62.47 -24.36 67.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.995 -0.548 . . . . 2.17 110.677 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.49 8.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.469 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.6 -28.01 8.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.776 -0.726 . . . . 1.43 113.65 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.622 ' H ' ' CD ' ' A' ' 29' ' ' PRO . 74.4 t60 176.98 -30.44 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.124 0.787 . . . . 3.7 113.124 -171.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -52.46 155.24 10.17 Favored 'Trans proline' 0 CA--C 1.446 -3.889 0 C-N-CA 124.211 3.274 . . . . 2.64 116.857 -169.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 13.34 24.02 Favored 'General case' 0 C--N 1.247 -3.857 0 O-C-N 120.31 -1.494 . . . . 2.56 109.887 -173.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.598 HG22 ' CA ' ' A' ' 75' ' ' SER . 42.2 p -126.51 139.82 52.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.956 -1.02 . . . . 1.4 111.511 -163.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' HE1' ' A' ' 63' ' ' MET . 89.9 mt -90.65 120.04 31.39 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.137 -0.938 . . . . 0.73 109.052 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 73' ' ' GLN . 26.0 t-20 -81.72 174.99 10.83 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.5 -0.926 . . . . 2.37 108.5 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -48.92 -44.51 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.973 0.509 . . . . 1.42 112.054 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -43.82 72.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.936 -0.649 . . . . 0.44 112.648 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 21.8 mm-40 -69.96 -36.1 74.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.605 0.24 . . . . 2.0 111.289 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 74' ' ' LEU . 88.2 t80 -60.11 -52.48 65.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.948 0.404 . . . . 1.47 110.296 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 26.4 mtpp -55.9 -39.29 71.38 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.46 -0.791 . . . . 1.38 110.288 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 tp10 -65.1 -45.82 83.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.766 0.666 . . . . 1.74 110.868 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' A' ' 79' ' ' PHE . 2.8 tm? -59.93 -54.05 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.707 -0.479 . . . . 1.43 109.707 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.618 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 96.9 t -57.22 -36.28 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 0.4 110.744 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 41.6 ttm180 -67.64 -33.54 75.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.262 -0.881 . . . . 3.25 112.686 -170.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 17.1 ptpt -128.67 -15.82 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.606 0.965 . . . . 2.33 113.606 -172.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 3.2 m-20 -108.23 -32.56 7.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.347 -0.541 . . . . 1.88 111.875 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 89.6 mt -101.98 5.63 40.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.239 0.616 . . . . 0.44 110.895 174.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 12.4 pt20 -50.4 -22.11 1.72 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.758 1.021 . . . . 1.46 113.758 -174.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -103.93 -49.05 3.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.033 0.444 . . . . 2.14 110.017 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -65.03 -36.35 84.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.642 0.734 . . . . 1.91 109.592 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 mt -110.06 24.96 12.33 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.435 -0.802 . . . . 0.61 110.323 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.73 -43.21 17.79 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -63.64 -38.28 90.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.387 0.613 . . . . 1.25 110.468 -179.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.38 -32.92 64.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.998 -1.001 . . . . 2.13 109.997 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.36 -16.58 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 1.7 110.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.11 -15.31 51.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.425 -0.807 . . . . 3.34 110.966 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -132.35 145.18 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 1.92 110.202 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -76.11 -45.61 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 2.46 111.103 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.85 -25.99 67.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 2.5 112.162 -169.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.32 -40.75 73.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.66 109.816 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG21 ' HA ' ' A' ' 38' ' ' LYS . 30.2 mt -63.77 -38.39 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.436 -0.802 . . . . 1.05 109.934 176.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.6 mm-40 -59.76 -38.67 82.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.829 -0.623 . . . . 1.86 110.632 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -66.17 -49.2 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 1.87 110.518 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.97 -34.36 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 1.18 110.115 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.508 ' O ' HD21 ' A' ' 74' ' ' LEU . 12.1 tpt -58.11 -53.46 58.03 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 114.172 -1.376 . . . . 1.05 111.974 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -105.32 -26.85 11.83 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 114.792 -2.763 . . . . 2.37 108.937 -162.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.06 -35.97 67.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.464 -0.335 . . . . 1.93 110.815 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 62.2 mt -78.57 -24.68 45.4 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.591 0.589 . . . . 1.26 112.591 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' HA ' ' A' ' 70' ' ' ALA . 9.9 t70 -65.34 76.99 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.507 1.146 . . . . 1.39 110.231 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 m -70.5 -24.35 62.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.799 -1.546 . . . . 1.98 110.927 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.58 -1.5 57.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.172 0.511 . . . . 2.25 109.635 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . . . 53.1 36.84 23.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.469 -1.241 . . . . 1.15 111.458 173.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -116.3 7.81 14.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 1.95 110.411 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.16 29.1 14.08 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.867 0.841 . . . . 1.64 109.339 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 29.2 mt-30 -143.06 139.27 30.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.16 -1.382 . . . . 1.59 108.973 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' THR . 45.8 mt -106.86 115.69 30.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.063 0.458 . . . . 0.7 111.05 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.598 ' CA ' HG22 ' A' ' 31' ' ' THR . 94.6 p -79.55 172.01 14.37 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.28 -0.873 . . . . 1.42 110.245 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 7.0 p90 -51.89 -40.75 61.18 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.494 -0.321 . . . . 3.07 111.237 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 80' ' ' ILE . 28.1 mm-40 -65.17 -45.58 84.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.992 0.425 . . . . 2.03 111.706 -178.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.38 -44.48 51.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.453 0.644 . . . . 3.18 110.724 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 31.0 t80 -71.98 -29.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 3.12 110.827 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.5 tp -66.15 -38.19 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.263 -0.643 . . . . 2.0 109.263 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 25.9 ttt -54.42 -36.68 64.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.974 -0.557 . . . . 2.01 110.482 172.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 38.3 tp -60.54 -42.22 96.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.934 0.397 . . . . 1.38 110.243 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.41 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 25.6 mmt -61.51 -27.57 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.682 -0.69 . . . . 0.91 110.169 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.738 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -78.18 -42.55 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.35 110.671 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 81' ' ' MET . 33.8 mtp180 -59.32 -36.53 75.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.629 0.728 . . . . 1.67 109.227 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.97 -33.45 61.9 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.05 -0.977 . . . . 1.68 109.984 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 m -65.19 -37.54 87.64 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.371 0.605 . . . . 0.48 109.854 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.671 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.1 t90 -65.45 -39.06 91.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.436 -0.802 . . . . 3.49 109.496 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.86 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.96 0.41 . . . . 1.18 110.851 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m -68.01 -37.85 81.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.078 -0.51 . . . . 1.74 110.819 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -81.18 -16.9 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.094 -0.642 . . . . 3.33 109.813 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 52.5 mm-40 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 3.3 110.699 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.6 mtm . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.294 0.568 . . . . 2.68 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 176.49 9.38 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.904 -1.044 . . . . 1.22 110.687 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -57.43 -45.64 84.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.256 0.551 . . . . 2.47 109.894 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 12' ' ' ILE . 24.8 tp -64.38 -44.47 91.26 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.079 -0.964 . . . . 1.81 111.166 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 55.9 mt-10 -66.29 -51.36 58.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.035 0.754 . . . . 2.28 113.035 -172.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -60.44 -34.48 74.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.205 0.526 . . . . 3.54 109.731 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.614 ' OD1' HG13 ' A' ' 15' ' ' ILE . 12.3 t-20 -63.88 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.067 -0.969 . . . . 1.7 110.186 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 8' ' ' LEU . 81.9 mt -59.8 -40.5 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.33 110.33 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.43 -35.41 75.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.292 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -62.57 -46.14 89.7 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.008 0.432 . . . . 0.44 110.252 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.62 HG13 ' OD1' ' A' ' 11' ' ' ASN . 31.3 mt -62.55 -48.5 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.905 -0.589 . . . . 0.42 111.046 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.25 -42.52 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.42 110.743 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -63.32 -45.54 90.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 1.76 110.885 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 m -61.89 -50.66 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.8 111.166 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.437 ' CZ ' HG23 ' B' ' 15' ' ' ILE . 9.9 m-30 -57.19 -42.31 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 3.66 110.231 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.63 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 16.1 m80 -70.29 -37.92 74.91 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.674 -0.694 . . . . 2.83 112.764 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 18' ' ' THR . 28.4 pt20 -64.24 -33.31 75.53 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.589 -0.444 . . . . 1.45 110.577 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.508 ' HD1' ' O ' ' B' ' 18' ' ' THR . 77.3 m-85 -79.23 -34.12 43.03 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.5 -0.318 . . . . 1.4 111.468 175.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 3.9 p -78.61 -33.64 47.3 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.309 0.576 . . . . 1.04 111.318 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' B' ' 28' ' ' HIS . 5.1 p -73.24 -5.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.704 -0.68 . . . . 0.69 110.2 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 97.3 mttt -62.56 -24.13 67.36 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.03 -0.532 . . . . 2.17 110.612 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.42 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 2.04 110.316 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.66 -29.22 7.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.976 -0.631 . . . . 1.43 113.368 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.637 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 73.5 t60 179.59 -33.69 0.0 OUTLIER Pre-proline 0 CA--C 1.575 1.942 0 N-CA-C 113.524 0.935 . . . . 3.7 113.524 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' H ' ' B' ' 28' ' ' HIS . 3.9 Cg_exo -45.27 155.3 0.4 Allowed 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 125.236 3.957 . . . . 2.64 115.83 -172.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.43 11.31 28.85 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.742 -1.117 . . . . 2.56 110.193 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.604 HG22 ' CA ' ' B' ' 75' ' ' SER . 46.6 p -126.84 142.13 51.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.968 -1.015 . . . . 1.4 111.778 -163.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HE1' ' B' ' 63' ' ' MET . 86.3 mt -92.2 119.83 32.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.121 -0.945 . . . . 0.73 109.156 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' HG2' ' B' ' 73' ' ' GLN . 26.2 t-20 -81.64 174.22 11.59 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.471 -0.937 . . . . 2.37 108.471 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.64 -44.09 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.842 0.457 . . . . 1.42 111.873 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 -43.29 69.39 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.336 -0.935 . . . . 0.44 112.446 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' B' ' 25' ' ' LYS . 20.6 mm-40 -70.13 -36.22 74.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.656 0.265 . . . . 2.01 111.185 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.441 ' CD2' HD12 ' B' ' 74' ' ' LEU . 88.1 t80 -59.88 -52.62 64.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.47 110.343 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 26.4 mtpp -55.85 -39.15 71.05 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.395 -0.821 . . . . 1.39 110.369 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 5.6 tp10 -65.18 -45.9 83.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.756 0.66 . . . . 1.75 110.754 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' B' ' 79' ' ' PHE . 2.8 tm? -59.99 -53.89 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 1.43 109.722 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 97.0 t -57.27 -36.35 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.472 0.653 . . . . 0.4 110.767 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' B' ' 38' ' ' LYS . 41.6 ttm180 -67.67 -33.35 74.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.122 -0.944 . . . . 3.25 112.723 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 17.1 ptpt -128.79 -15.74 4.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.589 0.959 . . . . 2.33 113.589 -172.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 3.3 m-20 -108.44 -32.43 7.43 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.32 -0.552 . . . . 1.87 111.95 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 89.6 mt -101.96 5.75 40.93 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.252 0.621 . . . . 0.44 110.864 174.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 12.4 pt20 -50.54 -22.25 1.89 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.644 0.979 . . . . 1.46 113.644 -174.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -103.77 -49.06 3.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.948 0.404 . . . . 2.14 109.964 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -65.01 -36.19 83.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.63 0.729 . . . . 1.92 109.637 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.23 25.03 12.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.416 -0.811 . . . . 0.61 110.267 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -46.76 -43.36 18.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.212 0.449 . . . . 2.15 112.212 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -63.27 -38.33 90.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.501 0.667 . . . . 1.25 110.573 -179.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.42 -33.01 64.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.983 -1.008 . . . . 2.13 109.95 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 3.7 t-20 -70.36 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.715 0.769 . . . . 1.7 110.072 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -82.96 -15.67 50.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.447 -0.797 . . . . 3.34 110.928 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -132.08 145.07 51.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 1.92 110.184 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 42.2 mt-10 -75.97 -45.63 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.088 0.47 . . . . 2.46 111.123 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.445 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -65.83 -26.05 67.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.448 -0.796 . . . . 2.5 112.138 -169.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.32 -40.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.733 -0.469 . . . . 0.66 109.733 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' B' ' 38' ' ' LYS . 30.3 mt -63.74 -38.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.425 -0.807 . . . . 1.05 109.955 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 25.9 mm-40 -59.55 -38.72 81.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.658 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -66.16 -49.23 68.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.556 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.83 -34.47 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.426 0.631 . . . . 1.18 110.135 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.509 ' O ' HD21 ' B' ' 74' ' ' LEU . 12.0 tpt -58.11 -53.46 58.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.233 -1.349 . . . . 1.05 111.957 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -105.24 -26.9 11.85 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 114.779 -2.769 . . . . 2.36 108.864 -162.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.0 -35.84 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.002 -0.279 . . . . 1.93 110.911 169.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.572 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 61.6 mt -78.64 -24.91 44.99 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.564 0.579 . . . . 1.26 112.564 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.441 ' OD1' ' HA ' ' B' ' 70' ' ' ALA . 9.7 t70 -65.13 76.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.503 1.144 . . . . 1.4 110.344 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -70.25 -24.61 63.1 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.845 -1.525 . . . . 1.98 110.847 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.33 -1.58 57.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.233 0.54 . . . . 2.25 109.633 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . . . 53.32 36.58 23.22 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 114.55 -1.205 . . . . 1.14 111.468 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.22 8.12 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.729 -0.669 . . . . 1.95 110.392 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.9 29.31 14.56 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.773 0.797 . . . . 1.64 109.399 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' B' ' 31' ' ' THR . 29.3 mt-30 -143.25 139.14 30.07 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.252 -1.34 . . . . 1.59 108.983 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' B' ' 31' ' ' THR . 45.2 mt -107.03 115.28 29.91 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.7 110.988 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . 0.604 ' CA ' HG22 ' B' ' 31' ' ' THR . 95.0 p -79.09 172.22 14.11 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.279 -0.873 . . . . 1.41 110.215 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.676 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 6.8 p90 -52.23 -40.61 61.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.617 -0.265 . . . . 3.06 111.187 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 80' ' ' ILE . 28.6 mm-40 -65.13 -45.6 84.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 2.04 111.768 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.37 -44.57 51.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.297 0.57 . . . . 3.18 110.672 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 30.7 t80 -71.86 -30.0 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.312 -0.404 . . . . 3.12 110.802 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.738 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.4 tp -66.13 -38.02 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.369 -0.604 . . . . 2.0 109.369 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.589 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 25.8 ttt -54.76 -36.32 64.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.01 110.436 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' B' ' 66' ' ' LEU . 37.8 tp -60.76 -42.18 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 1.38 110.217 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.417 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 25.5 mmt -61.74 -27.39 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.91 110.089 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -78.27 -42.57 30.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.35 110.695 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 81' ' ' MET . 33.4 mtp180 -59.3 -36.6 75.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.603 0.716 . . . . 1.67 109.227 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.84 -33.26 62.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.913 -1.04 . . . . 1.68 110.135 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -65.3 -37.51 87.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.276 0.56 . . . . 0.48 109.745 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.669 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t90 -65.49 -39.14 91.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.551 -0.75 . . . . 3.49 109.545 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.16 80.2 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.25 -0.432 . . . . 1.18 110.869 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.1 m -67.99 -37.99 82.14 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.105 -0.498 . . . . 1.74 110.742 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -80.86 -17.32 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.183 -0.607 . . . . 3.33 109.758 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 48.3 mm-40 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.606 -0.27 . . . . 3.29 110.713 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.602 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 3.6 mpp? . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 121.547 0.689 . . . . 2.68 110.587 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 52.1 m -110.17 179.8 4.0 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.669 -1.15 . . . . 1.22 109.016 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.96 -39.27 85.03 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.915 0.388 . . . . 2.47 111.794 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -71.0 -49.66 42.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.687 0.625 . . . . 1.81 112.687 -164.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 6' ' ' SER . 0.3 OUTLIER -70.01 -39.62 75.74 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.98 0.355 . . . . 2.29 111.797 -173.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -60.06 -34.71 73.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.109 0.48 . . . . 3.54 110.328 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.99 -37.47 81.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 1.71 110.521 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.9 mt -63.08 -48.57 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.32 110.676 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.99 -36.6 79.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.464 -0.334 . . . . 1.95 110.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -61.79 -41.15 97.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.361 0.6 . . . . 0.44 110.257 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' B' ' 15' ' ' ILE . 28.6 mt -66.56 -48.25 80.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 0.42 110.774 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.94 -41.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.857 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.267 -0.424 . . . . 1.76 111.758 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.75 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.5 m -68.35 -50.51 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.775 -0.454 . . . . 0.8 109.775 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -55.88 -39.83 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.619 -0.512 . . . . 3.66 109.619 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.473 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 59.3 t-80 -57.19 -44.97 84.12 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.209 -0.905 . . . . 2.82 112.272 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.75 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.7 pt20 -67.29 -33.5 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.166 0.439 . . . . 1.45 111.125 -176.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 97.6 m-85 -76.18 -36.56 58.64 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.224 -0.59 . . . . 1.4 110.02 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 17.7 p -77.9 -32.94 52.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.235 0.54 . . . . 1.04 111.413 -176.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.6 p -70.58 -3.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 0.69 111.419 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD2' ' CG ' ' A' ' 36' ' ' GLU . 67.8 mttm -64.02 -26.15 68.44 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.118 -0.492 . . . . 2.17 109.772 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' A' ' 33' ' ' ASN . 6.7 mp -90.39 12.8 17.31 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.14 -0.482 . . . . 2.04 112.057 175.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.03 -116.12 5.06 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 120.719 -0.753 . . . . 1.43 111.464 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -62.48 106.94 0.96 Allowed Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 106.841 -1.54 . . . . 3.7 106.841 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.68 ' O ' ' HB2' ' A' ' 23' ' ' SER . 49.8 Cg_endo -76.08 44.14 1.27 Allowed 'Trans proline' 0 CA--C 1.516 -0.396 0 CA-C-O 116.917 -1.368 . . . . 2.64 115.499 -153.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.62 1.81 6.11 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 123.269 2.759 . . . . 2.56 113.631 -150.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.599 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 1.7 t -157.31 159.4 37.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.02 0.528 . . . . 1.4 111.74 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 mt -99.16 119.95 38.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.884 -1.154 . . . . 0.73 107.884 159.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' A' ' 26' ' ' LEU . 9.4 p30 -81.07 174.0 12.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.547 -0.861 . . . . 2.37 110.065 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 7.6 tt0 -49.75 -43.88 48.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.623 0.577 . . . . 1.42 111.976 -175.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.81 47.0 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.434 -0.889 . . . . 0.44 111.698 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.55 -37.58 77.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.425 . . . . 2.0 111.178 -178.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.86 -52.35 57.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 1.47 110.558 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.8 mtpp -56.84 -45.14 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.115 -0.493 . . . . 1.38 110.852 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 33.0 tt0 -62.77 -45.37 92.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.716 0.294 . . . . 1.74 110.87 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.48 -49.47 77.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.55 -0.537 . . . . 1.43 109.55 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.0 t -59.93 -37.34 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.635 -0.711 . . . . 0.4 110.833 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 77.7 mtp180 -70.59 -29.4 65.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.392 0.516 . . . . 3.25 112.392 -175.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 36.6 mtmt -104.29 -56.52 2.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.64 0.607 . . . . 2.33 112.64 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.94 -42.49 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.492 -0.483 . . . . 1.88 111.037 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 77.8 mt -94.44 2.71 55.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.274 -0.421 . . . . 0.44 111.416 -175.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.054 0.542 . . . . 1.46 112.005 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 19.4 p-10 -97.42 -46.58 6.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.664 -0.698 . . . . 2.14 111.35 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' B' ' 9' ' ' GLU . 2.7 m-85 -72.09 -34.28 68.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.343 0.592 . . . . 1.91 110.596 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -104.21 24.02 12.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.803 -0.814 . . . . 0.61 108.803 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.4 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.283 0.845 . . . . 2.16 113.283 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.617 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -57.76 -37.51 73.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.446 0.641 . . . . 1.25 110.653 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.8 tt0 -74.55 -33.88 62.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.171 -0.922 . . . . 2.13 110.942 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.414 HD21 ' HG2' ' A' ' 42' ' ' ARG . 4.9 t-20 -65.8 -18.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.7 110.943 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -4.55 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.102 -0.499 . . . . 3.34 110.991 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.49 145.72 51.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.842 -0.429 . . . . 1.92 109.842 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.8 mp0 -85.89 -43.62 13.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.46 110.503 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -58.7 -28.61 65.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 2.5 111.913 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 3.9 t -71.43 -38.3 68.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.66 109.992 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 mt -70.93 -35.08 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 1.05 109.776 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 21.0 mm-40 -57.44 -35.71 70.45 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.305 0.574 . . . . 1.86 109.796 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -63.87 -48.84 75.09 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.399 -0.819 . . . . 1.87 110.199 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 82' ' ' LEU . 31.0 mt -62.87 -34.86 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.714 0.768 . . . . 1.18 109.827 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.1 tpt -57.98 -37.86 75.01 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.425 -1.716 . . . . 1.05 111.86 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.7 tt0 -120.86 -30.52 4.4 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 115.561 -2.456 . . . . 2.37 111.364 -177.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.61 -34.88 67.65 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.622 -0.431 . . . . 1.93 110.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 85' ' ' ARG . 22.7 mt -81.56 -29.49 33.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.787 -0.365 . . . . 1.26 111.404 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 63.3 t0 -70.59 89.43 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.771 0.796 . . . . 1.39 111.061 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.0 m -60.43 -22.55 63.54 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.537 -1.21 . . . . 1.98 111.431 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.55 -6.31 49.89 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.587 -0.445 . . . . 2.25 110.681 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.19 33.9 10.33 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.244 -0.889 . . . . 1.15 113.037 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -117.13 18.44 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.746 -0.207 . . . . 1.95 110.769 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 65.05 38.55 6.12 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.934 0.771 . . . . 1.64 109.441 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.599 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 27.2 mt-30 -142.71 141.44 31.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.055 -0.975 . . . . 1.59 110.466 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 62.2 mt -114.91 114.5 25.56 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.446 -0.502 . . . . 0.7 110.5 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 m -77.02 166.3 23.49 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.959 -0.756 . . . . 1.42 108.959 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.693 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 22.7 p90 -52.32 -40.63 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.909 0.707 . . . . 3.07 112.909 -175.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 80' ' ' ILE . 35.3 mt-10 -69.8 -29.27 66.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 2.03 111.452 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 66' ' ' LEU . 18.8 mm-40 -76.66 -48.81 17.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.149 0.499 . . . . 3.18 109.752 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.693 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 2.1 p90 -73.38 -25.41 60.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.186 -0.605 . . . . 3.12 111.135 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.5 tp -65.07 -40.94 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.059 -0.656 . . . . 2.0 109.67 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.636 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 85.4 mmm -53.26 -37.21 61.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.711 -0.222 . . . . 2.01 111.075 170.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 53.6 tp -58.45 -40.31 82.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.909 0.385 . . . . 1.38 110.203 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 mmt -63.87 -26.84 68.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.955 -0.566 . . . . 0.91 110.01 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -79.57 -36.85 37.62 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.35 110.327 175.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -64.67 -36.28 83.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.527 0.68 . . . . 1.67 109.368 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.0 tp -77.19 -28.32 53.89 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.439 -0.801 . . . . 1.68 109.612 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.8 m -65.82 -32.13 73.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.573 -0.529 . . . . 0.48 109.573 171.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.7 t90 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.518 -0.549 . . . . 3.49 109.518 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.12 -32.73 74.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 1.18 110.421 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.95 -36.18 75.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.675 . . . . 1.74 109.683 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -64.55 -39.03 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.335 -0.848 . . . . 3.33 110.878 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.0 pt-20 . . . . . 0 C--N 1.319 -0.722 0 CA-C-N 116.42 -0.355 . . . . 3.3 111.463 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' MET . . . . . 0.605 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 3.6 mpp? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.619 0.724 . . . . 2.68 110.486 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.55 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 55.7 m -110.85 179.74 3.97 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.713 -1.131 . . . . 1.22 109.144 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.89 -39.33 84.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.938 0.399 . . . . 2.47 111.639 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.613 ' O ' HG13 ' B' ' 12' ' ' ILE . 0.8 OUTLIER -71.12 -49.61 42.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.665 0.617 . . . . 1.81 112.665 -164.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.03 -39.55 75.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.99 0.359 . . . . 2.28 111.875 -172.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -60.06 -34.78 73.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 3.54 110.343 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -67.95 -37.47 81.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 1.7 110.595 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.613 HG13 ' O ' ' B' ' 8' ' ' LEU . 69.3 mt -63.08 -48.56 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.333 -0.394 . . . . 0.33 110.776 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.71 -36.72 79.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 1.95 111.018 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.6 m -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.44 110.284 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 15' ' ' ILE . 28.0 mt -66.45 -48.2 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.817 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.13 -41.42 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 0.42 110.83 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -69.43 -30.87 68.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.22 -0.445 . . . . 1.76 111.863 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.0 m -68.49 -50.59 51.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.802 -0.444 . . . . 0.8 109.802 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' B' ' 32' ' ' LEU . 25.2 m-85 -55.79 -39.75 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.142 0.496 . . . . 3.66 109.675 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' HIS . . . . . 0.472 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 59.3 t-80 -57.25 -44.85 84.26 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.249 -0.887 . . . . 2.83 112.404 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.754 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.7 pt20 -67.26 -33.72 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 118.035 0.38 . . . . 1.45 111.144 -176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.545 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 97.5 m-85 -76.01 -36.51 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.128 -0.629 . . . . 1.4 110.034 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.677 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 18.4 p -77.94 -32.83 51.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 1.04 111.51 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -70.72 -3.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.69 111.316 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.588 ' HD2' ' CG ' ' B' ' 36' ' ' GLU . 67.7 mttm -63.82 -26.36 68.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.095 -0.502 . . . . 2.17 109.712 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' B' ' 33' ' ' ASN . 6.7 mp -90.22 12.72 17.22 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.194 -0.457 . . . . 2.04 112.075 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.14 -116.1 5.07 Favored Glycine 0 C--O 1.228 -0.278 0 C-N-CA 120.724 -0.751 . . . . 1.43 111.307 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -62.63 106.91 0.97 Allowed Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 106.784 -1.562 . . . . 3.7 106.784 167.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' B' ' 23' ' ' SER . 50.2 Cg_endo -76.06 44.03 1.25 Allowed 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-O 116.901 -1.375 . . . . 2.64 115.571 -153.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -71.6 1.47 6.58 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 123.3 2.773 . . . . 2.56 113.568 -150.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 1.7 t -156.97 159.34 37.96 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.175 0.59 . . . . 1.4 111.794 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' B' ' 19' ' ' PHE . 54.3 mt -99.05 120.06 38.84 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.868 -1.16 . . . . 0.73 107.868 159.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' B' ' 26' ' ' LEU . 9.4 p30 -81.21 173.94 12.03 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.518 -0.873 . . . . 2.37 110.037 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.92 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 7.6 tt0 -49.61 -44.04 46.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.698 0.624 . . . . 1.42 112.003 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.91 46.54 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.457 -0.877 . . . . 0.44 111.654 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.588 ' CG ' ' HD2' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -69.28 -37.51 77.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.369 . . . . 2.01 111.212 -178.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.87 -52.36 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.377 -0.374 . . . . 1.47 110.552 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 27.8 mtpp -56.95 -45.17 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.146 -0.479 . . . . 1.39 110.911 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 33.3 tt0 -62.69 -45.27 93.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 1.75 110.944 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.49 -49.52 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.597 -0.52 . . . . 1.43 109.597 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 76.2 t -59.82 -37.36 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.601 -0.727 . . . . 0.4 110.832 177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.661 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 77.4 mtp180 -70.61 -29.4 65.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.378 0.51 . . . . 3.25 112.378 -175.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 36.6 mtmt -104.36 -56.39 2.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.692 0.627 . . . . 2.33 112.692 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.95 -42.65 17.37 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.62 -0.432 . . . . 1.87 110.957 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 78.1 mt -94.27 2.6 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.44 111.469 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.661 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.019 0.528 . . . . 1.46 111.918 -175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASN . . . . . 0.602 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 19.5 p-10 -97.49 -46.44 6.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.733 -0.667 . . . . 2.14 111.311 -177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' GLU . 2.7 m-85 -72.17 -34.51 68.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.312 0.577 . . . . 1.92 110.508 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.96 24.04 11.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.816 -0.809 . . . . 0.61 108.816 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.44 4.64 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.249 0.833 . . . . 2.15 113.249 -171.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . 0.616 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -57.81 -37.24 73.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.363 0.601 . . . . 1.25 110.746 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.2 tt0 -74.77 -33.76 62.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.179 -0.919 . . . . 2.13 111.073 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.409 HD21 ' HG2' ' B' ' 42' ' ' ARG . 5.0 t-20 -65.91 -18.0 65.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 1.7 111.023 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.11 -4.88 57.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 3.34 110.968 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.19 145.63 51.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.911 -0.403 . . . . 1.92 109.911 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 mp0 -85.9 -43.8 12.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 2.46 110.474 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -58.69 -28.25 65.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 2.5 112.037 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 3.9 t -71.68 -38.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.224 0.535 . . . . 0.66 110.071 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -71.2 -35.06 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 1.05 109.852 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 21.0 mm-40 -57.3 -35.9 70.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.238 0.542 . . . . 1.85 109.774 174.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -63.76 -48.89 75.16 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.425 -0.807 . . . . 1.87 110.185 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.46 HG21 HD13 ' B' ' 82' ' ' LEU . 30.8 mt -62.76 -34.94 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.838 0.828 . . . . 1.18 109.872 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.1 tpt -57.93 -37.55 74.31 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 113.385 -1.734 . . . . 1.05 111.912 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 27.7 tt0 -121.09 -30.55 4.33 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 115.466 -2.494 . . . . 2.36 111.298 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.79 -34.4 67.62 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.541 -0.464 . . . . 1.93 110.652 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 85' ' ' ARG . 22.8 mt -82.01 -29.14 32.17 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.769 -0.372 . . . . 1.26 111.457 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 63.1 t0 -70.8 89.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.915 0.864 . . . . 1.4 111.037 -174.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 86.0 m -60.78 -22.55 64.21 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.317 -1.31 . . . . 1.98 111.401 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.6 -6.19 50.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 2.25 110.604 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.0 33.79 9.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.261 -0.881 . . . . 1.14 113.133 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.02 18.17 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.648 0.261 . . . . 1.95 110.605 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 34' ' ' GLN . 0.2 OUTLIER 65.18 38.6 5.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.669 -0.696 . . . . 1.64 109.352 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.597 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 27.2 mt-30 -142.8 141.26 31.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.979 -1.01 . . . . 1.59 110.532 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 61.4 mt -114.64 114.59 25.88 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.9 -0.5 . . . . 0.7 110.527 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 5.7 m -77.03 166.41 23.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.007 -0.738 . . . . 1.41 109.007 175.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.704 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 22.7 p90 -52.34 -40.59 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.885 0.698 . . . . 3.06 112.885 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.464 ' O ' HG22 ' B' ' 80' ' ' ILE . 35.3 mt-10 -69.78 -29.43 66.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 2.04 111.482 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.415 ' O ' HD13 ' B' ' 66' ' ' LEU . 18.8 mm-40 -76.56 -48.75 18.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.22 0.533 . . . . 3.18 109.75 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.704 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 2.2 p90 -73.27 -25.38 60.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.137 -0.625 . . . . 3.12 111.181 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.5 tp -65.21 -40.84 90.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 2.0 109.623 176.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.634 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 85.6 mmm -53.23 -37.38 62.01 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.739 -0.209 . . . . 2.01 110.997 170.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 53.7 tp -58.45 -40.3 82.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.948 0.404 . . . . 1.38 110.172 175.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.76 -26.86 68.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.015 -0.539 . . . . 0.91 110.012 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -79.5 -37.03 37.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.945 0.402 . . . . 0.35 110.36 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.9 mtp180 -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.511 0.672 . . . . 1.67 109.384 176.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -77.32 -28.3 53.12 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 115.467 -0.788 . . . . 1.68 109.598 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -65.74 -32.03 73.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.599 -0.519 . . . . 0.48 109.599 171.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' TRP . . . . . 0.505 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 24.8 t90 -66.86 -36.14 81.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.459 -0.571 . . . . 3.49 109.459 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.0 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 1.18 110.386 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.72 -36.12 75.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.667 -0.697 . . . . 1.74 109.559 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.74 -38.64 91.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.392 -0.822 . . . . 3.33 110.889 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.1 pt-20 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.307 -0.406 . . . . 3.29 111.468 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttm . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.821 0.343 . . . . 9.06 110.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -77.53 -36.44 52.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 6.86 110.14 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -93.13 81.42 4.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.159 0.504 . . . . 5.23 110.336 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' B' ' 47' ' ' ASN . 45.8 tptt -58.85 -41.56 87.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.418 -0.81 . . . . 2.34 110.214 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.57 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 40.7 mtp -47.7 150.33 1.06 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.49 -1.232 . . . . 2.68 112.533 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -119.21 175.94 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 1.22 109.879 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.5 -48.01 76.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.926 0.394 . . . . 2.47 110.769 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.746 HD21 ' HB ' ' B' ' 18' ' ' THR . 34.0 mt -69.31 -41.37 76.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.038 -0.528 . . . . 1.81 111.365 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' OE1' ' HG2' ' A' ' 5' ' ' MET . 2.8 tm-20 -63.51 -50.01 71.29 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.182 0.301 . . . . 2.29 110.763 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtm180 -55.95 -42.64 76.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.199 0.523 . . . . 3.54 110.514 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' B' ' 11' ' ' ASN . 2.6 m120 -62.04 -39.39 92.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.46 -0.791 . . . . 1.71 111.525 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 8' ' ' LEU . 66.8 mt -67.88 -46.96 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.949 -0.389 . . . . 0.32 109.949 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.34 -44.11 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.95 110.147 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.556 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 47.1 m -59.06 -41.12 87.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.451 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.741 ' HA ' ' CD2' ' B' ' 8' ' ' LEU . 20.2 mt -65.56 -49.59 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.742 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 90' ' ' SER . 96.8 mt -54.41 -52.82 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.53 -0.759 . . . . 0.42 111.626 -178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 14' ' ' THR . 9.7 p30 -70.53 -32.87 70.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.323 -0.551 . . . . 1.76 112.207 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.771 ' HB ' HD21 ' B' ' 8' ' ' LEU . 8.8 m -75.85 -47.59 24.95 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.281 -0.568 . . . . 0.8 110.391 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -53.48 -41.05 65.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.317 -0.623 . . . . 3.66 109.317 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.427 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 35.6 m170 -69.39 -21.92 63.75 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.465 -0.789 . . . . 2.82 112.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.715 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt20 -68.88 -31.57 70.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.996 0.817 . . . . 1.45 109.049 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' A' ' 40' ' ' LEU . 93.7 m-85 -77.66 -30.83 52.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 1.4 110.003 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 29' ' ' PRO . 2.4 m -76.71 -29.72 56.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.538 0.685 . . . . 1.04 111.161 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.8 p -78.04 -3.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.69 111.569 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.2 -23.81 67.45 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.531 . . . . 2.17 110.598 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -88.74 -6.86 57.14 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.226 0.454 . . . . 2.04 112.226 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.96 -120.51 4.5 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.346 -0.701 . . . . 1.43 111.346 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -60.64 112.73 6.06 Favored Pre-proline 0 C--O 1.231 0.116 0 N-CA-C 106.111 -1.811 . . . . 3.7 106.111 166.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 66.8 Cg_endo -75.13 39.78 0.62 Allowed 'Trans proline' 0 CA--C 1.516 -0.422 0 N-CA-C 115.155 1.175 . . . . 2.64 115.155 -153.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.59 2.82 5.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.98 2.173 . . . . 2.56 113.472 -147.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.735 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 11.9 t -157.82 173.1 17.32 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 123.158 0.583 . . . . 1.4 111.145 -168.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.37 118.41 30.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.382 -0.969 . . . . 0.73 108.382 158.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -82.74 -176.81 6.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.644 -0.822 . . . . 2.37 109.088 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' A' ' 63' ' ' MET . 35.7 tt0 -51.93 -45.69 64.41 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.5 -0.318 . . . . 1.42 111.757 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -40.2 48.45 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.671 -0.776 . . . . 0.44 112.415 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.6 -40.18 76.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.71 -0.245 . . . . 2.0 110.725 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.87 -46.2 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 1.47 110.912 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HA ' HG21 ' A' ' 59' ' ' ILE . 59.6 mtpt -57.78 -46.48 84.52 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.362 -0.381 . . . . 1.38 110.683 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 41.1 tt0 -62.11 -45.85 91.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 1.74 110.819 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.0 tm? -51.72 -53.64 37.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 1.43 110.207 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 95.9 t -64.4 -37.49 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.36 0.6 . . . . 0.4 110.536 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.614 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.9 ttm180 -67.89 -29.23 68.28 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.649 -0.705 . . . . 3.25 111.631 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -98.46 -53.53 3.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.309 0.485 . . . . 2.33 112.309 -175.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' B' ' 8' ' ' LEU . 1.7 m-20 -95.92 -41.19 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.698 0.629 . . . . 1.88 112.698 -172.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 72.1 mt -88.0 1.96 52.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.44 110.41 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.4 pt20 -52.06 -21.6 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.023 -0.99 . . . . 1.46 111.775 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.606 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 2.2 p30 -97.56 -49.68 4.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.162 -0.472 . . . . 2.14 111.284 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' O ' HD13 ' A' ' 109' ' ' LEU . 1.5 m-30 -69.86 -35.25 74.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.457 0.646 . . . . 1.91 110.751 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.3 22.71 15.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.742 -0.663 . . . . 0.61 109.79 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 11.1 ptmt -48.8 -42.51 36.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.899 0.703 . . . . 2.16 112.899 -174.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HD2' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -62.61 -36.76 83.78 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.651 0.739 . . . . 1.25 110.098 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.4 tt0 -75.19 -32.75 61.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.704 -1.134 . . . . 2.13 110.064 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.614 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 25.8 t-20 -65.78 -16.77 64.1 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.117 -0.947 . . . . 1.7 111.286 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -80.86 -13.99 58.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 3.34 110.247 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -125.58 145.35 50.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.749 -0.463 . . . . 1.92 109.749 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -89.23 -33.53 16.96 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.922 0.392 . . . . 2.46 110.558 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.95 -30.04 70.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.733 -0.667 . . . . 2.5 111.725 -175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 11.7 t -68.86 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.66 109.53 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 38' ' ' LYS . 58.1 mt -66.95 -37.81 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.337 -0.847 . . . . 1.05 110.013 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.14 -35.4 73.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.034 -0.53 . . . . 1.86 110.887 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -63.06 -49.06 76.04 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.447 -0.342 . . . . 1.87 110.118 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' A' ' 66' ' ' LEU . 54.0 mt -65.86 -34.49 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.532 0.682 . . . . 1.18 110.314 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -52.88 -50.87 62.97 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 113.808 -1.542 . . . . 1.05 110.361 176.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 67' ' ' ASP . 34.0 tt0 -112.71 -28.72 7.68 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 115.399 -2.521 . . . . 2.37 110.431 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.87 -39.4 81.25 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.922 -0.486 . . . . 1.93 111.392 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 62' ' ' ILE . 10.9 mp -77.02 -15.97 59.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.805 0.336 . . . . 1.26 111.322 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB3' ' O ' ' A' ' 64' ' ' GLU . 7.7 t70 -68.5 78.37 0.27 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.295 1.045 . . . . 1.39 109.887 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.0 p -69.06 -27.89 66.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.121 -1.399 . . . . 1.98 111.44 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.5 -0.7 56.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.72 . . . . 2.25 109.709 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.512 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . . . 56.61 41.72 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.681 -1.145 . . . . 1.15 113.454 166.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.34 10.79 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.865 0.364 . . . . 1.95 110.635 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER 63.63 38.9 9.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.962 0.887 . . . . 1.64 108.826 -176.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.735 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 26.6 mt-30 -143.21 166.57 24.32 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.863 -1.517 . . . . 1.59 108.528 -176.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 73' ' ' GLN . 50.9 mt -129.67 113.13 14.39 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.474 -0.491 . . . . 0.7 110.49 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -76.16 170.42 16.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.301 -0.863 . . . . 1.42 108.983 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 3.9 m-85 -49.74 -44.65 48.7 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.168 0.293 . . . . 3.07 111.216 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . 43.5 mt-10 -67.86 -33.67 75.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.964 0.411 . . . . 2.03 111.708 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 81' ' ' MET . 32.1 mt-10 -76.15 -47.49 24.09 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.284 0.564 . . . . 3.18 110.42 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 2.4 p90 -71.39 -26.76 62.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 119.039 -1.064 . . . . 3.12 110.446 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.774 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.2 tp -65.8 -40.09 86.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 120.182 -0.607 . . . . 2.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.0 ptp -63.92 -26.23 68.5 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.627 -0.429 . . . . 2.01 110.497 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.2 tm? -57.86 -43.37 85.88 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.136 -0.69 . . . . 1.38 109.136 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.4 -24.87 68.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.984 -0.553 . . . . 0.91 111.501 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.775 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -76.59 -38.25 55.14 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.897 0.38 . . . . 0.35 110.506 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' MET . 22.3 mtp-105 -59.34 -42.79 92.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.996 0.903 . . . . 1.67 108.714 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.6 tp -72.29 -26.54 62.01 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 114.43 -1.259 . . . . 1.68 110.136 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.408 ' HA ' HD13 ' B' ' 16' ' ' ILE . 26.0 m -65.67 -36.24 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.591 -0.277 . . . . 0.48 110.499 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 91.2 t90 -66.48 -37.62 85.51 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.412 -0.588 . . . . 3.49 109.412 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.85 89.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.563 . . . . 1.18 110.796 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.497 ' HB2' HD13 ' B' ' 16' ' ' ILE . 18.1 m -73.75 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.182 -0.463 . . . . 1.74 110.611 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 29.6 t-80 -67.8 -36.02 79.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.015 -0.735 . . . . 3.33 109.015 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.9 mm-40 -73.77 -30.41 62.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.778 -1.101 . . . . 3.3 110.489 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.633 ' O ' ' HD2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -80.52 -21.61 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.405 0.622 . . . . 5.63 109.351 176.424 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 50.3 ttp -64.15 -25.94 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 5.55 110.482 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -79.18 69.45 5.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.517 -0.549 . . . . 5.1 109.517 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 41.9 tt0 -62.57 119.73 9.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.541 0.686 . . . . 5.97 110.337 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.66 56.61 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 114.322 -1.308 . . . . 7.17 112.407 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 27.8 t70 -67.87 -18.92 64.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 111.935 0.346 . . . . 9.86 111.935 -170.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -76.64 -27.69 55.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.144 0.497 . . . . 8.93 110.654 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 170.67 88.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 110.562 -1.015 . . . . 6.76 110.562 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -72.99 135.31 22.96 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.588 2.192 . . . . 7.95 114.138 -167.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.13 -36.02 2.05 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 109.209 -1.556 . . . . 10.53 109.209 164.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -152.8 133.52 13.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.235 -1.024 . . . . 12.94 108.235 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -97.5 127.61 43.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.326 0.584 . . . . 8.25 111.691 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -100.62 158.86 15.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.445 -0.946 . . . . 8.24 108.445 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.469 ' HB2' ' HA2' ' A' ' 110' ' ' GLY . 25.9 mtpp -74.49 144.24 80.57 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 121.084 0.468 . . . . 6.23 111.267 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.492 ' O ' ' HB2' ' A' ' 111' ' ' GLU . 97.2 Cg_exo -48.45 151.77 4.48 Favored 'Trans proline' 0 C--O 1.204 -1.192 0 C-N-CA 124.307 3.338 . . . . 2.91 116.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.88 -45.83 0.01 OUTLIER Glycine 0 C--N 1.305 -1.185 0 C-N-CA 128.692 3.044 . . . . 3.18 118.308 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -145.48 -49.74 0.24 Allowed 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 120.364 2.082 . . . . 2.15 108.317 145.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 106' ' ' LYS . . . -132.16 8.56 5.39 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 111.963 -2.38 . . . . 2.79 111.944 -175.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -76.47 152.28 36.18 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.143 0.977 . . . . 3.67 113.136 -163.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.25 110.51 2.76 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.511 -1.036 . . . . 2.84 110.511 170.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.2 p -127.42 123.61 23.27 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.562 0.181 . . . . 3.88 111.079 -175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo . . . . . 0 C--O 1.251 1.14 0 C-N-CA 122.699 2.266 . . . . 5.2 111.456 174.355 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.829 0.347 . . . . 9.07 110.623 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -77.23 -36.64 54.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.267 -0.424 . . . . 6.86 110.185 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.0 p -92.79 81.5 4.69 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.228 0.537 . . . . 5.24 110.299 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.438 ' HG3' ' HB3' ' A' ' 47' ' ' ASN . 45.9 tptt -58.98 -41.64 88.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.369 -0.832 . . . . 2.34 110.098 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.606 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 40.4 mtp -47.44 150.84 0.86 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.688 -1.142 . . . . 2.68 112.489 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -119.59 175.79 5.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.558 . . . . 1.22 109.837 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -64.22 -47.97 77.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.781 0.324 . . . . 2.47 110.902 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB ' ' A' ' 18' ' ' THR . 33.2 mt -69.4 -41.34 76.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.08 -0.509 . . . . 1.81 111.372 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.53 ' OE1' ' HG2' ' B' ' 5' ' ' MET . 2.8 tm-20 -63.56 -50.08 70.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 123.201 0.313 . . . . 2.28 110.679 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -55.98 -42.56 76.51 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.208 0.528 . . . . 3.54 110.515 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.571 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 2.6 m120 -62.17 -39.21 91.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.7 111.565 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.634 HG13 ' O ' ' B' ' 8' ' ' LEU . 66.4 mt -67.9 -47.25 79.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.33 109.964 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -57.98 -44.17 86.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 1.95 110.21 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.559 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 52.1 m -59.29 -40.87 87.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.263 -0.426 . . . . 0.44 110.554 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.714 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.0 mt -65.64 -49.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.182 -0.463 . . . . 0.42 110.728 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 90' ' ' SER . 96.9 mt -54.26 -52.84 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.55 -0.75 . . . . 0.42 111.667 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.442 HD21 ' HA ' ' B' ' 14' ' ' THR . 9.9 p30 -70.45 -32.9 70.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.385 -0.526 . . . . 1.76 112.187 -175.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.746 ' HB ' HD21 ' A' ' 8' ' ' LEU . 8.9 m -75.94 -47.51 24.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.387 -0.525 . . . . 0.8 110.351 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.469 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 2.5 m-85 -53.46 -41.15 65.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.298 -0.63 . . . . 3.66 109.298 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' B' ' 24' ' ' VAL . 35.5 m170 -69.45 -21.69 63.7 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.417 -0.811 . . . . 2.83 112.94 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' B' ' 18' ' ' THR . 8.7 pt20 -69.05 -31.72 70.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.982 0.81 . . . . 1.45 108.898 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.544 ' CD2' HD23 ' B' ' 40' ' ' LEU . 93.6 m-85 -77.7 -30.7 51.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 1.4 109.903 173.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' B' ' 31' ' ' THR . 2.4 m -76.62 -29.84 56.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.541 0.686 . . . . 1.04 111.189 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.527 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -77.92 -3.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 0.69 111.497 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -64.21 -23.7 67.4 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 2.17 110.606 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -88.68 -6.91 57.15 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.156 -0.474 . . . . 2.04 112.178 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.6 -121.45 4.86 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 110.99 -0.844 . . . . 1.43 110.99 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -59.45 112.46 5.25 Favored Pre-proline 0 C--O 1.232 0.137 0 N-CA-C 106.374 -1.713 . . . . 3.7 106.374 166.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.527 ' HB3' ' CA ' ' B' ' 24' ' ' VAL . 65.0 Cg_endo -75.23 39.76 0.63 Allowed 'Trans proline' 0 CA--C 1.517 -0.334 0 N-CA-C 115.258 1.215 . . . . 2.64 115.258 -153.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.71 3.0 5.55 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 121.995 2.179 . . . . 2.56 113.337 -147.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.728 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 12.0 t -157.82 173.18 17.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.164 0.586 . . . . 1.4 111.175 -168.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.51 118.38 30.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.318 -0.993 . . . . 0.73 108.318 158.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.69 -176.77 6.44 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.763 -0.775 . . . . 2.37 109.068 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.569 ' HA ' ' CG ' ' B' ' 63' ' ' MET . 35.4 tt0 -51.83 -46.01 64.17 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.46 -0.336 . . . . 1.42 111.75 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.6 -40.09 47.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.68 -0.772 . . . . 0.44 112.297 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -69.64 -39.89 76.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.654 0.264 . . . . 2.01 110.755 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -65.97 -46.15 79.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.354 -0.385 . . . . 1.47 110.952 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.41 ' HA ' HG21 ' B' ' 59' ' ' ILE . 59.3 mtpt -57.74 -46.7 84.11 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.305 -0.407 . . . . 1.39 110.707 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 41.7 tt0 -61.86 -45.72 92.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.053 -0.521 . . . . 1.75 110.89 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.0 tm? -51.92 -53.66 38.44 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.87 0.367 . . . . 1.43 110.201 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 96.8 t -64.29 -37.45 79.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.358 0.599 . . . . 0.4 110.612 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.626 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 39.7 ttm180 -68.15 -28.8 67.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 3.25 111.723 -174.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -98.61 -53.37 3.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.373 0.509 . . . . 2.33 112.373 -175.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' A' ' 8' ' ' LEU . 1.8 m-20 -96.17 -41.2 8.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.755 0.65 . . . . 1.87 112.755 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 73.0 mt -87.84 1.93 52.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.44 110.512 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.4 pt20 -52.11 -21.67 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.0 -1.0 . . . . 1.46 111.805 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.57 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 2.2 p30 -97.32 -49.64 4.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 2.14 111.343 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.599 ' O ' HD13 ' B' ' 109' ' ' LEU . 1.5 m-30 -69.9 -35.56 74.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.457 0.646 . . . . 1.92 110.675 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -108.97 22.75 15.5 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.722 -0.672 . . . . 0.61 109.753 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 11.0 ptmt -48.8 -42.78 37.01 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.878 0.696 . . . . 2.15 112.878 -174.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.598 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -62.52 -36.65 83.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.67 0.748 . . . . 1.25 110.094 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.3 tt0 -75.27 -32.74 61.13 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.701 -1.136 . . . . 2.13 109.975 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 25.3 t-20 -65.77 -16.8 64.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.127 -0.942 . . . . 1.7 111.179 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -81.09 -13.22 58.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 3.34 110.254 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -126.12 145.51 50.32 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.722 -0.473 . . . . 1.92 109.722 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.5 -33.45 16.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.839 0.352 . . . . 2.46 110.571 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.0 -29.77 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.804 -0.634 . . . . 2.5 111.672 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 11.7 t -68.97 -41.44 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.66 109.631 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.41 HG21 ' HA ' ' B' ' 38' ' ' LYS . 57.4 mt -67.03 -37.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.245 -0.889 . . . . 1.05 110.014 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.17 -35.09 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.026 -0.534 . . . . 1.85 110.823 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -63.28 -49.31 74.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.114 -0.328 . . . . 1.87 110.114 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.539 ' HA ' HD13 ' B' ' 66' ' ' LEU . 53.8 mt -65.81 -34.38 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.536 0.684 . . . . 1.18 110.408 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.569 ' CG ' ' HA ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -52.84 -50.83 62.94 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 113.839 -1.528 . . . . 1.05 110.389 176.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' B' ' 67' ' ' ASP . 34.0 tt0 -112.6 -29.03 7.6 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 115.404 -2.518 . . . . 2.36 110.323 -167.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.74 -39.41 80.84 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.405 -0.518 . . . . 1.93 111.283 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' B' ' 62' ' ' ILE . 10.9 mp -77.28 -15.63 59.35 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.887 0.375 . . . . 1.26 111.227 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.572 ' HB3' ' O ' ' B' ' 64' ' ' GLU . 7.4 t70 -68.53 78.08 0.28 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.272 1.034 . . . . 1.4 109.946 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 61.0 p -68.95 -28.24 66.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.19 -1.368 . . . . 1.98 111.306 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -86.19 -0.8 56.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.672 -0.695 . . . . 2.25 109.668 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.515 ' HA ' ' OD2' ' B' ' 67' ' ' ASP . . . 56.92 41.42 27.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.679 -1.146 . . . . 1.14 113.499 167.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.16 10.98 14.0 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.91 -0.316 . . . . 1.95 110.66 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.7 OUTLIER 63.9 38.16 9.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.849 0.833 . . . . 1.64 108.909 -176.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.728 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.6 mt-30 -142.79 166.5 24.47 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.06 -1.427 . . . . 1.59 108.552 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.455 HD23 ' O ' ' B' ' 73' ' ' GLN . 50.4 mt -129.7 113.3 14.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.187 0.518 . . . . 0.7 110.498 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.6 t -76.11 170.33 16.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.147 -0.933 . . . . 1.41 109.105 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.752 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 3.9 m-85 -49.63 -44.54 47.47 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.207 0.317 . . . . 3.06 111.148 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.609 ' O ' HG22 ' B' ' 80' ' ' ILE . 43.9 mt-10 -67.98 -33.64 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 2.04 111.768 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 81' ' ' MET . 32.2 mt-10 -76.34 -47.33 23.88 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.252 0.549 . . . . 3.18 110.367 -176.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.752 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 2.3 p90 -71.4 -26.79 62.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 118.955 -1.098 . . . . 3.12 110.551 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.775 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.2 tp -65.84 -40.12 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.17 -0.612 . . . . 2.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.635 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 24.0 ptp -63.98 -26.07 68.41 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.549 -0.46 . . . . 2.01 110.43 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.622 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.2 tm? -57.87 -43.37 85.97 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.202 -0.666 . . . . 1.38 109.202 171.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.46 -24.87 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.91 111.396 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -76.58 -38.2 55.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.875 0.369 . . . . 0.35 110.554 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' B' ' 81' ' ' MET . 22.9 mtp-105 -59.52 -42.67 92.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.062 0.934 . . . . 1.67 108.682 175.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 48' ' ' PHE . 21.5 tp -72.24 -26.59 62.07 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.405 -1.27 . . . . 1.68 110.106 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -36.26 83.14 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.549 -0.296 . . . . 0.48 110.535 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.59 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 91.1 t90 -66.48 -37.45 85.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.438 -0.578 . . . . 3.49 109.438 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.96 89.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 1.18 110.775 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.493 ' HB2' HD13 ' A' ' 16' ' ' ILE . 18.4 m -73.77 -17.19 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.089 -0.505 . . . . 1.74 110.713 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . 0.565 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 29.7 t-80 -67.81 -35.81 79.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.987 -0.745 . . . . 3.33 108.987 172.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 11.6 mm-40 -74.08 -30.28 62.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.785 -1.098 . . . . 3.29 110.396 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.617 ' O ' ' HD2' ' B' ' 93' ' ' LYS . 0.6 OUTLIER -80.7 -21.65 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.372 -0.603 . . . . 5.62 109.372 176.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.402 ' HB3' ' HE2' ' B' ' 94' ' ' MET . 50.8 ttp -64.07 -26.24 68.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 5.55 110.457 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.55 69.37 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.525 -0.546 . . . . 5.11 109.525 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 41.2 tt0 -62.37 119.54 9.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.68 . . . . 5.97 110.421 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -66.16 -11.76 56.23 Favored Glycine 0 C--O 1.223 -0.591 0 CA-C-N 114.29 -1.323 . . . . 7.19 112.422 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.505 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 28.0 t70 -68.08 -19.11 64.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 111.983 0.364 . . . . 9.86 111.983 -170.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -76.56 -27.28 55.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 8.93 110.721 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 170.25 88.38 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.617 -0.993 . . . . 6.77 110.617 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -72.86 135.61 23.78 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.603 2.202 . . . . 7.97 114.171 -167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.2 -36.45 1.97 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.309 -1.517 . . . . 10.54 109.309 164.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -152.57 133.54 14.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.084 -1.08 . . . . 12.94 108.084 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -97.27 128.16 43.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.153 0.501 . . . . 8.26 111.562 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -100.94 158.78 15.74 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.462 -0.94 . . . . 8.24 108.462 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.481 ' HB2' ' HA2' ' B' ' 110' ' ' GLY . 26.0 mtpp -74.46 144.52 81.09 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-O 120.986 0.422 . . . . 6.24 111.29 -177.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.488 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 99.5 Cg_exo -48.56 151.69 4.74 Favored 'Trans proline' 0 C--O 1.205 -1.167 0 C-N-CA 124.315 3.343 . . . . 2.91 116.03 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.87 -45.74 0.01 OUTLIER Glycine 0 C--N 1.304 -1.246 0 C-N-CA 128.698 3.047 . . . . 3.17 118.311 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.599 HD13 ' O ' ' B' ' 48' ' ' PHE . 1.0 OUTLIER -145.47 -49.89 0.24 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 120.414 2.107 . . . . 2.15 108.249 145.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' B' ' 106' ' ' LYS . . . -132.06 8.56 5.42 Favored Glycine 0 C--N 1.343 0.931 0 CA-C-N 111.916 -2.402 . . . . 2.79 112.015 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -76.27 152.31 36.53 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 124.122 0.969 . . . . 3.68 113.146 -163.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.4 110.39 2.71 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.594 -1.002 . . . . 2.85 110.594 170.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 29.1 p -126.75 124.22 24.04 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-O 120.399 0.143 . . . . 3.89 111.025 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.495 2.13 . . . . 5.21 111.434 173.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.959 0.409 . . . . 9.06 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 ' O ' ' HE2' ' B' ' 50' ' ' LYS . 4.5 t -90.48 89.87 7.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.526 0.679 . . . . 6.86 111.274 -175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -140.16 55.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 5.23 110.366 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -137.46 -138.5 0.14 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.608 -0.886 . . . . 2.34 108.608 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.479 ' HE1' ' HB2' ' A' ' 13' ' ' GLU . 2.0 ttt -152.77 131.02 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.789 -0.569 . . . . 2.68 110.747 175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -87.38 174.86 8.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 1.22 110.073 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.66 -46.58 86.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.47 110.862 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CD1' ' HA ' ' B' ' 15' ' ' ILE . 3.9 mm? -64.73 -45.53 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 1.81 110.666 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 71.5 mt-10 -61.61 -46.58 89.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.316 -0.402 . . . . 2.29 111.141 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -59.4 -37.94 79.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.797 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.71 -45.25 83.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.336 . . . . 1.71 110.357 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -60.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.32 110.682 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 5' ' ' MET . 1.6 tm-20 -62.63 -36.89 84.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.698 -0.228 . . . . 1.95 110.546 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.8 m -64.61 -37.02 86.14 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.156 0.503 . . . . 0.44 110.545 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.612 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 44.0 mt -70.13 -44.55 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.42 109.883 175.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 85.2 mt -57.77 -40.07 73.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.518 -0.765 . . . . 0.42 110.627 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 12.6 m120 -67.29 -45.96 75.03 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.855 0.317 . . . . 1.76 111.855 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.3 m -63.73 -47.75 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.506 0.67 . . . . 0.8 109.848 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CD2' HD11 ' A' ' 32' ' ' LEU . 2.0 m-85 -64.07 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 3.66 109.415 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 7.1 t60 -58.65 -50.73 72.79 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.394 0.678 . . . . 2.82 111.392 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 18' ' ' THR . 27.4 pt20 -62.35 -34.45 76.67 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.606 -0.438 . . . . 1.45 111.285 -176.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -80.21 -31.05 38.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.279 -0.569 . . . . 1.4 111.724 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.73 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 24.3 p -78.91 -33.13 45.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.379 0.609 . . . . 1.04 110.663 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' A' ' 29' ' ' PRO . 4.3 p -72.01 -4.4 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.485 -0.779 . . . . 0.69 111.029 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 9.1 mtpm? -64.86 -28.61 69.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.851 -0.613 . . . . 2.17 109.853 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -91.43 12.51 20.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.025 -0.534 . . . . 2.04 111.811 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.63 -129.05 9.72 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.772 -0.728 . . . . 1.43 111.683 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -59.36 112.04 4.62 Favored Pre-proline 0 CA--C 1.516 -0.358 0 N-CA-C 106.447 -1.686 . . . . 3.7 106.447 168.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 23' ' ' SER . 57.0 Cg_endo -75.42 37.96 0.53 Allowed 'Trans proline' 0 C--O 1.222 -0.277 0 N-CA-C 116.077 1.529 . . . . 2.64 116.077 -149.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.13 6.21 2.31 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 123.118 2.69 . . . . 2.56 114.54 -150.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -156.27 157.45 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.075 0.55 . . . . 1.4 111.697 -175.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 19' ' ' PHE . 87.9 mt -100.52 120.89 40.69 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 0.73 108.362 161.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 4.0 m-20 -81.77 169.86 16.41 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 119.86 -0.736 . . . . 2.37 109.964 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -52.09 -39.71 60.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.063 0.394 . . . . 1.42 112.063 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.7 -39.0 49.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.44 111.715 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 7.4 mp0 -65.0 -42.06 94.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.353 -0.423 . . . . 2.0 110.464 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.56 -47.23 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.949 -0.569 . . . . 1.47 110.905 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 97.4 mttt -55.15 -48.43 73.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.38 110.452 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' HG2' ' CE ' ' A' ' 43' ' ' LYS . 29.1 tt0 -64.33 -41.58 96.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 1.74 110.673 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.91 -53.62 56.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 1.43 110.015 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 92.0 t -58.19 -38.47 68.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.4 111.212 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 95.3 mtt180 -67.83 -29.65 68.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.924 0.713 . . . . 3.25 112.924 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.6 mtmp? -110.74 -36.09 5.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.522 0.564 . . . . 2.33 112.522 -174.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 9.0 m-20 -105.45 -31.52 8.97 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.967 -0.293 . . . . 1.88 111.541 -170.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 86.5 mt -101.36 5.53 42.26 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.758 0.423 . . . . 0.44 110.912 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 28.6 pt20 -51.04 -22.11 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.259 -0.882 . . . . 1.46 112.747 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.661 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 35.1 m-80 -97.55 -48.65 5.18 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.454 -0.573 . . . . 2.14 109.454 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -62.8 -36.42 83.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.734 0.778 . . . . 1.91 109.709 -176.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 HD12 HG13 ' A' ' 41' ' ' VAL . 81.2 mt -112.21 22.66 14.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.332 -0.849 . . . . 0.61 110.892 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.661 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -43.0 22.5 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.208 0.317 . . . . 2.16 111.538 -175.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.638 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 1.6 mppt? -61.05 -47.48 86.2 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 122.567 1.175 . . . . 1.25 109.562 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 112.656 -2.065 . . . . 2.13 110.994 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.501 ' OD1' ' HG2' ' A' ' 42' ' ' ARG . 46.1 t30 -69.33 -17.02 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.371 0.605 . . . . 1.7 110.932 -173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -81.87 -5.11 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 3.34 110.085 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' OD1' ' HD3' ' A' ' 57' ' ' LYS . 35.7 t30 -127.61 147.1 50.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 1.92 109.794 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.5 mt-10 -86.83 -44.49 11.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 2.46 111.658 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -64.62 -29.27 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.882 -170.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.7 m -69.47 -39.72 78.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.66 111.132 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.421 HD12 HG11 ' A' ' 41' ' ' VAL . 30.6 mm -64.25 -37.42 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.462 -0.57 . . . . 1.05 109.462 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt-10 -65.84 -35.18 79.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.519 -0.764 . . . . 1.86 110.509 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.87 -48.45 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.09 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 58' ' ' VAL . 47.4 mm -58.55 -36.86 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.739 0.78 . . . . 1.18 109.953 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.508 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 14.1 tpt -62.08 -50.35 72.3 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-N 113.688 -1.596 . . . . 1.05 111.387 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 30.6 tt0 -102.45 -28.0 12.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 114.238 -2.985 . . . . 2.37 108.806 -161.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.17 -38.86 71.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.352 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.0 -22.87 36.3 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.101 0.408 . . . . 1.26 112.101 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' OD2' ' HE3' ' A' ' 72' ' ' LYS . 17.3 t0 -66.5 78.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.621 0.724 . . . . 1.39 110.795 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.8 -21.38 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.156 -0.929 . . . . 1.98 110.157 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.64 -4.8 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 2.25 109.438 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.81 25.3 3.78 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.602 -1.181 . . . . 1.15 113.756 168.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -119.95 20.59 12.13 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.75 0.31 . . . . 1.95 111.203 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 64.04 39.68 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.531 -0.759 . . . . 1.64 109.399 -177.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.635 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 25.8 mt-30 -138.5 141.32 39.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.569 -1.196 . . . . 1.59 109.493 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.508 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 54.7 mt -115.08 114.25 25.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.713 -0.477 . . . . 0.7 109.713 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.412 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 35.5 t -76.14 171.15 14.97 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.73 -0.841 . . . . 1.42 108.73 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 9.1 p90 -50.46 -39.26 47.37 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.318 0.488 . . . . 3.07 112.318 -174.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' O ' HG22 ' A' ' 80' ' ' ILE . 53.0 mt-10 -75.05 -32.52 61.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.067 0.395 . . . . 2.03 112.067 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.7 mp0 -73.28 -45.98 52.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.08 -0.387 . . . . 3.18 110.805 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 1.8 p90 -72.97 -26.34 61.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.769 -0.772 . . . . 3.12 110.927 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.84 -37.81 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.52 -0.472 . . . . 2.0 109.871 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.5 ttt -57.32 -30.31 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.271 172.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.4 tm? -65.69 -40.04 91.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.779 -0.452 . . . . 1.38 109.779 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.31 -30.59 68.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.218 0.532 . . . . 0.91 109.647 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.35 -38.02 65.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.35 110.639 177.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -62.93 -32.91 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.402 0.62 . . . . 1.67 109.338 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 40.6 mt -70.86 -33.64 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 1.68 109.951 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.7 m -65.92 -41.05 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.358 0.599 . . . . 0.48 110.079 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.621 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.5 t-105 -65.44 -35.95 82.44 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.52 -0.764 . . . . 3.49 109.448 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.53 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 1.18 110.814 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.3 t -69.09 -36.62 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.047 0.451 . . . . 1.74 109.803 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -62.81 -36.16 82.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 3.33 110.063 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 12.1 mm-40 -82.86 -26.28 31.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.464 -0.789 . . . . 3.3 111.286 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB2' HD23 ' A' ' 109' ' ' LEU . 26.4 tptp -80.54 -17.0 52.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 5.63 109.373 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 57.5 ttp -63.23 -20.66 65.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.222 -0.899 . . . . 5.55 109.654 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.89 82.82 5.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 5.1 110.089 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.509 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 9.6 tp10 -59.2 144.03 47.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 106.185 -1.783 . . . . 5.97 106.185 165.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.83 -51.91 32.21 Favored Glycine 0 CA--C 1.507 -0.429 0 C-N-CA 119.426 -1.369 . . . . 7.17 112.375 -160.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -122.67 -30.65 3.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.768 0.784 . . . . 9.86 112.605 158.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 42.6 mt-10 -77.65 21.55 0.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.086 0.773 . . . . 8.93 113.086 -165.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 96' ' ' GLU . . . -79.04 116.57 4.35 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 6.76 112.81 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 99' ' ' GLU . 51.2 Cg_exo -58.0 162.21 11.75 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.428 2.752 . . . . 7.95 111.439 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.36 -23.58 73.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.683 -0.77 . . . . 10.53 112.185 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -140.78 121.08 13.93 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.145 -1.057 . . . . 12.94 108.145 162.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -157.71 159.78 37.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.188 -0.301 . . . . 8.25 110.188 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -100.45 132.61 45.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.254 -1.017 . . . . 8.24 108.254 166.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 37.0 tptt -108.59 128.01 26.38 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.694 0.283 . . . . 6.23 111.036 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' HD2' ' HD2' ' A' ' 106' ' ' LYS . 24.3 Cg_endo -73.13 160.78 44.74 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 123.635 2.89 . . . . 2.91 110.571 177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 90.34 41.94 5.35 Favored Glycine 0 N--CA 1.424 -2.121 0 C-N-CA 117.953 -2.07 . . . . 3.18 114.465 163.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 93' ' ' LYS . 1.1 tm? -79.91 -40.34 28.44 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.902 -1.518 . . . . 2.15 106.902 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.72 -16.52 4.52 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 110.564 -1.014 . . . . 2.79 110.564 165.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.541 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 11.2 mt-10 -77.41 154.78 32.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.585 -0.807 . . . . 3.67 109.832 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.04 104.87 2.71 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 118.091 -2.004 . . . . 2.84 111.166 167.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 50.3 m -152.75 114.42 2.79 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 109.662 -0.496 . . . . 3.88 109.662 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.479 2.12 . . . . 5.2 112.269 179.443 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.967 0.413 . . . . 9.07 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.446 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 4.5 t -90.63 89.8 7.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.593 0.711 . . . . 6.86 111.31 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -140.25 55.18 1.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 5.24 110.469 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' B' ' 4' ' ' LYS . 0.6 OUTLIER -137.43 -138.47 0.14 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.308 -0.86 . . . . 2.34 108.692 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.469 ' HE1' ' HB2' ' B' ' 13' ' ' GLU . 2.0 ttt -152.81 130.65 11.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.671 -0.643 . . . . 2.68 110.858 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -86.95 174.73 8.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 1.22 110.117 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.43 -46.49 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 2.47 110.909 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.612 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 3.9 mm? -64.81 -45.61 85.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.591 . . . . 1.81 110.645 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' B' ' 5' ' ' MET . 71.8 mt-10 -61.46 -46.58 89.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.269 -0.423 . . . . 2.28 111.083 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -59.55 -37.83 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.802 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.79 -45.32 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 1.7 110.347 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 8' ' ' LEU . 79.2 mt -60.52 -47.93 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.33 110.757 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' HE1' ' B' ' 5' ' ' MET . 1.6 tm-20 -62.49 -36.9 83.96 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.721 -0.218 . . . . 1.95 110.644 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -36.9 85.81 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.479 . . . . 0.44 110.584 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 44.1 mt -69.98 -44.59 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.42 109.938 174.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 85.6 mt -57.69 -40.37 75.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 115.468 -0.787 . . . . 0.42 110.593 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 12.4 m120 -66.94 -46.08 75.84 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.832 0.308 . . . . 1.76 111.832 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 31.5 m -63.59 -48.0 79.16 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.513 0.673 . . . . 0.8 109.9 -177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' B' ' 32' ' ' LEU . 2.0 m-85 -64.0 -33.88 76.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.482 -0.781 . . . . 3.66 109.502 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 16' ' ' ILE . 7.0 t60 -58.85 -50.83 72.53 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 123.402 0.681 . . . . 2.83 111.305 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' B' ' 18' ' ' THR . 27.5 pt20 -62.2 -34.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.645 -0.422 . . . . 1.45 111.343 -176.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -80.19 -30.94 38.79 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.32 -0.552 . . . . 1.4 111.761 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.724 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.9 p -78.91 -33.49 45.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.365 0.603 . . . . 1.04 110.635 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.498 ' CA ' ' HB3' ' B' ' 29' ' ' PRO . 4.3 p -71.54 -4.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.525 -0.761 . . . . 0.69 111.169 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 9.1 mtpm? -64.59 -29.04 70.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.895 -0.593 . . . . 2.17 109.847 176.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 26' ' ' LEU . 2.9 mm? -90.94 12.39 19.72 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 2.04 111.779 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 -129.12 9.74 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.69 -0.767 . . . . 1.43 111.743 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -59.33 112.38 5.09 Favored Pre-proline 0 CA--C 1.517 -0.317 0 N-CA-C 106.42 -1.696 . . . . 3.7 106.42 168.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' B' ' 23' ' ' SER . 55.8 Cg_endo -75.65 38.24 0.56 Allowed 'Trans proline' 0 C--O 1.223 -0.267 0 N-CA-C 116.21 1.581 . . . . 2.64 116.21 -150.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.35 6.02 2.55 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 123.135 2.698 . . . . 2.56 114.504 -149.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.633 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -156.22 157.21 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.137 0.575 . . . . 1.4 111.777 -175.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' B' ' 19' ' ' PHE . 86.3 mt -100.1 120.92 40.6 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.5 -0.926 . . . . 0.73 108.5 161.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 3.8 m-20 -81.79 169.54 16.78 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.895 -0.722 . . . . 2.37 109.961 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.65 -40.17 59.48 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.985 0.365 . . . . 1.42 111.985 -171.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.29 -38.85 53.12 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.737 -0.744 . . . . 0.44 111.808 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 7.6 mp0 -65.39 -42.07 93.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.368 -0.416 . . . . 2.01 110.408 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 1.47 110.967 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 97.3 mttt -55.02 -48.76 72.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.299 -0.41 . . . . 1.39 110.428 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.513 ' HG2' ' CE ' ' B' ' 43' ' ' LYS . 28.7 tt0 -63.99 -41.62 97.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 1.75 110.765 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.93 -53.69 55.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.902 -0.407 . . . . 1.43 109.902 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.2 t -58.2 -38.38 67.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.4 111.172 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 95.5 mtt180 -67.9 -29.63 68.77 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.954 0.724 . . . . 3.25 112.954 -173.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.513 ' CE ' ' HG2' ' B' ' 39' ' ' GLU . 5.6 mtmp? -110.61 -36.09 5.83 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.349 0.499 . . . . 2.33 112.349 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 8.6 m-20 -105.48 -31.33 9.04 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.932 -0.307 . . . . 1.87 111.522 -170.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 86.6 mt -101.5 5.52 41.92 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.363 0.414 . . . . 0.44 110.794 173.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 28.5 pt20 -50.93 -22.18 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.371 -0.832 . . . . 1.46 112.767 -174.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.672 ' O ' ' HD2' ' B' ' 50' ' ' LYS . 35.0 m-80 -97.58 -48.75 5.13 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.394 -0.595 . . . . 2.14 109.394 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.444 ' CD2' HD12 ' B' ' 109' ' ' LEU . 0.3 OUTLIER -62.7 -36.32 82.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.788 0.804 . . . . 1.92 109.74 -176.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.492 HD12 HG13 ' B' ' 41' ' ' VAL . 81.0 mt -112.31 22.68 14.46 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.36 -0.837 . . . . 0.61 110.817 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.672 ' HD2' ' O ' ' B' ' 47' ' ' ASN . 0.1 OUTLIER -47.34 -42.97 22.46 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.233 0.333 . . . . 2.15 111.51 -175.676 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.646 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 1.6 mppt? -61.2 -47.24 87.03 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.669 1.223 . . . . 1.25 109.62 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.6 -31.88 63.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 112.658 -2.065 . . . . 2.13 110.939 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' B' ' 42' ' ' ARG . 45.4 t30 -69.16 -17.06 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 1.7 110.864 -173.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -81.85 -5.0 57.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.041 -0.527 . . . . 3.34 110.156 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' B' ' 57' ' ' LYS . 35.9 t30 -127.85 147.27 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.641 -0.503 . . . . 1.92 109.641 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 38.5 mt-10 -87.11 -44.39 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 2.46 111.588 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -64.73 -29.25 70.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.697 -0.683 . . . . 2.5 111.8 -170.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.477 ' O ' HG12 ' B' ' 62' ' ' ILE . 1.6 m -69.52 -39.84 78.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.145 -0.479 . . . . 0.66 111.056 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.43 HD12 HG11 ' B' ' 41' ' ' VAL . 30.7 mm -64.15 -37.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.395 -0.595 . . . . 1.05 109.395 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 27.5 mt-10 -65.86 -35.28 80.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.548 -0.751 . . . . 1.85 110.597 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.74 -48.42 71.96 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.87 110.053 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 58' ' ' VAL . 47.3 mm -58.57 -36.69 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.657 0.741 . . . . 1.18 109.958 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.495 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 14.1 tpt -62.35 -49.98 73.42 Favored 'General case' 0 N--CA 1.42 -1.943 0 CA-C-N 113.641 -1.618 . . . . 1.05 111.379 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 30.3 tt0 -102.81 -27.88 12.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 114.342 -2.943 . . . . 2.36 108.816 -161.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.09 -39.32 71.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.331 -0.395 . . . . 1.93 110.342 169.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -81.74 -22.72 37.12 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.094 0.405 . . . . 1.26 112.094 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.515 ' OD2' ' HE3' ' B' ' 72' ' ' LYS . 16.9 t0 -66.76 78.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.713 0.768 . . . . 1.4 110.804 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 t -68.17 -21.65 64.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.161 -0.927 . . . . 1.98 110.09 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -86.61 -4.64 59.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 2.25 109.336 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.68 25.51 3.8 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.723 -1.126 . . . . 1.14 113.792 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.01 20.08 12.2 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.748 0.309 . . . . 1.95 111.131 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.515 ' HE3' ' OD2' ' B' ' 67' ' ' ASP . 0.0 OUTLIER 64.63 39.29 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.566 -0.743 . . . . 1.64 109.482 -177.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.633 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 26.0 mt-30 -138.37 141.38 39.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.632 -1.167 . . . . 1.59 109.359 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.495 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 54.8 mt -115.13 114.18 24.96 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.643 -0.503 . . . . 0.7 109.643 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -76.48 171.32 14.8 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.717 -0.845 . . . . 1.41 108.717 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.703 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 9.4 p90 -50.46 -39.37 47.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.338 0.495 . . . . 3.06 112.338 -174.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.525 ' O ' HG22 ' B' ' 80' ' ' ILE . 55.3 mt-10 -75.04 -32.63 61.6 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.033 0.382 . . . . 2.04 112.033 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.17 -45.74 54.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.82 -0.352 . . . . 3.18 110.871 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 1.7 p90 -73.11 -26.27 61.18 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 119.663 -0.815 . . . . 3.12 110.823 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.9 -37.83 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.469 -0.492 . . . . 2.0 109.802 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 21.7 ttt -57.31 -30.34 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 2.01 110.255 172.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.4 tm? -65.57 -40.05 92.33 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.771 -0.455 . . . . 1.38 109.771 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 28.5 mmt -59.35 -30.69 68.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.579 -0.526 . . . . 0.91 109.579 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.35 -37.9 65.93 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.64 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.8 mtp180 -63.08 -32.57 73.97 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.357 -0.608 . . . . 1.67 109.357 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 41.4 mt -71.09 -33.77 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.771 . . . . 1.68 109.908 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 55.2 m -65.82 -40.92 92.28 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.328 0.585 . . . . 0.48 110.145 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.632 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.5 t-105 -65.41 -35.91 82.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.517 -0.765 . . . . 3.49 109.374 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.51 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.679 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 33.4 t -69.15 -36.49 77.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 1.74 109.893 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.8 -35.87 81.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 3.33 110.109 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 12.0 mm-40 -83.14 -26.33 31.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.444 -0.798 . . . . 3.29 111.308 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.551 ' HB2' HD23 ' B' ' 109' ' ' LEU . 26.4 tptp -80.38 -17.08 52.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.38 0.609 . . . . 5.62 109.426 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 57.8 ttp -63.43 -20.04 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.019 -0.991 . . . . 5.55 109.738 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -79.16 82.63 5.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 5.11 110.104 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.506 ' HB3' ' CA ' ' B' ' 100' ' ' GLY . 9.2 tp10 -59.23 143.8 48.02 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 106.228 -1.768 . . . . 5.97 106.228 165.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.9 -51.44 34.36 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 119.446 -1.359 . . . . 7.19 112.452 -160.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -122.83 -30.66 3.79 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 117.751 0.776 . . . . 9.86 112.739 158.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' B' ' 101' ' ' PRO . 43.2 mt-10 -77.89 21.79 0.3 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.171 0.804 . . . . 8.93 113.171 -165.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.506 ' CA ' ' HB3' ' B' ' 96' ' ' GLU . . . -79.44 116.25 4.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.663 -0.78 . . . . 6.77 112.704 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' B' ' 99' ' ' GLU . 53.0 Cg_exo -57.92 162.28 11.43 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.423 2.748 . . . . 7.97 111.3 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.52 -23.32 73.48 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.618 -0.801 . . . . 10.54 112.124 -169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.8 121.1 13.93 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.065 -1.087 . . . . 12.94 108.065 162.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -157.77 159.69 37.06 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 8.26 110.15 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -100.56 132.16 46.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.368 -0.975 . . . . 8.24 108.368 166.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 93' ' ' LYS . 36.6 tptt -108.24 127.94 26.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.659 0.266 . . . . 6.24 111.198 -172.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.433 ' HD2' ' HD2' ' B' ' 106' ' ' LYS . 26.4 Cg_endo -72.92 160.82 45.14 Favored 'Trans proline' 0 CA--C 1.505 -0.968 0 C-N-CA 123.681 2.921 . . . . 2.91 110.633 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 90.44 41.68 5.39 Favored Glycine 0 N--CA 1.425 -2.087 0 C-N-CA 117.965 -2.064 . . . . 3.17 114.55 163.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' B' ' 93' ' ' LYS . 1.0 OUTLIER -79.96 -40.44 28.06 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.789 -1.56 . . . . 2.15 106.789 168.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.74 -16.48 4.53 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.622 -0.991 . . . . 2.79 110.622 165.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.537 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 11.0 mt-10 -77.3 155.2 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.585 -0.808 . . . . 3.68 109.917 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -102.52 104.66 2.63 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 118.206 -1.949 . . . . 2.85 111.138 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 55.4 m -152.92 114.03 2.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.751 -0.463 . . . . 3.89 109.751 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 C--O 1.247 0.973 0 C-N-CA 122.563 2.176 . . . . 5.21 112.281 179.821 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.386 0.612 . . . . 9.06 110.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -129.18 111.9 13.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.296 -0.411 . . . . 6.86 110.342 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -70.3 107.16 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.673 -0.491 . . . . 5.23 109.673 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -150.67 6.53 0.54 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.111 -0.495 . . . . 2.34 111.136 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.514 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 32.3 mtt -38.84 139.91 0.41 Allowed 'General case' 0 C--O 1.235 0.317 0 O-C-N 124.094 0.872 . . . . 2.68 112.987 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -75.54 176.21 7.8 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.367 -1.288 . . . . 1.22 109.411 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.76 -45.38 82.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 2.47 110.216 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.2 tp -62.56 -46.04 90.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.54 -0.755 . . . . 1.81 110.992 -177.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 84.7 mt-10 -64.81 -49.7 69.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.191 -0.459 . . . . 2.29 111.975 -174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 10' ' ' ARG . 56.2 mtt180 -60.99 -34.44 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.986 0.422 . . . . 3.54 110.365 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -68.96 -41.29 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.739 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 8' ' ' LEU . 64.6 mt -62.48 -47.18 94.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.32 109.734 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -58.43 -40.46 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.595 -0.729 . . . . 1.95 110.177 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 m -68.6 -39.54 80.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.433 -0.349 . . . . 0.44 111.222 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' B' ' 15' ' ' ILE . 43.4 mt -62.49 -44.04 98.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.286 0.565 . . . . 0.42 109.938 174.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.71 -38.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.42 110.044 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.15 -41.11 86.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.606 -0.724 . . . . 1.76 110.451 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 22' ' ' TYR . 43.4 m -62.3 -50.26 72.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.118 0.485 . . . . 0.8 110.148 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.62 -47.32 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 3.66 109.282 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -57.15 -46.35 82.81 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 114.837 -1.074 . . . . 2.82 112.368 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -66.49 -35.63 80.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.68 -0.408 . . . . 1.45 111.229 -175.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 90.0 m-85 -78.52 -32.82 48.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.446 -0.502 . . . . 1.4 110.67 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.678 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 25.5 p -78.89 -35.66 43.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.379 0.609 . . . . 1.04 111.013 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 4.8 p -71.49 -5.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.51 -0.768 . . . . 0.69 111.072 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 49.8 mttp -62.5 -23.01 66.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.511 -0.768 . . . . 2.17 109.753 172.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -95.68 -5.6 41.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.969 -0.56 . . . . 2.04 112.222 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.89 -123.76 6.01 Favored Glycine 0 N--CA 1.463 0.439 0 C-N-CA 120.953 -0.641 . . . . 1.43 111.609 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -63.35 105.15 0.6 Allowed Pre-proline 0 CA--C 1.516 -0.341 0 N-CA-C 106.438 -1.69 . . . . 3.7 106.438 167.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.678 ' O ' ' HB2' ' A' ' 23' ' ' SER . 36.8 Cg_endo -76.83 48.24 2.4 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 N-CA-C 115.681 1.377 . . . . 2.64 115.681 -149.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.66 -7.02 45.33 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 123.487 2.858 . . . . 2.56 112.212 -149.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.605 ' CB ' ' HB3' ' A' ' 73' ' ' GLN . 59.8 p -154.13 161.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.636 0.774 . . . . 1.4 110.419 -168.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 60.5 mt -99.59 121.48 41.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.947 -0.76 . . . . 0.73 108.947 163.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.554 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . 12.1 t-20 -79.69 163.99 24.09 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.058 -1.057 . . . . 2.37 109.168 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 24.3 tt0 -51.53 -37.83 51.25 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.1 0.407 . . . . 1.42 112.1 -172.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.23 43.78 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.68 -0.772 . . . . 0.44 111.466 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' OE2' ' HB3' ' A' ' 33' ' ' ASN . 3.9 mp0 -63.02 -44.41 96.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.503 . . . . 2.0 110.408 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.49 -44.11 83.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.034 -0.53 . . . . 1.47 111.496 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -54.21 -48.25 71.25 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.359 -0.608 . . . . 1.38 109.359 178.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE2' ' HD2' ' A' ' 42' ' ' ARG . 1.5 tp10 -62.76 -42.9 99.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.902 -1.045 . . . . 1.74 110.71 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 32' ' ' LEU . 10.2 tt -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 1.43 109.773 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 90.6 t -69.99 -37.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.049 -0.523 . . . . 0.4 111.111 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 91.5 mtt180 -61.92 -31.3 71.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.859 0.318 . . . . 3.25 111.859 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -118.51 -30.89 5.06 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.205 0.817 . . . . 2.33 113.205 -170.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 5.0 m-20 -105.98 -33.55 7.88 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 120.125 -0.63 . . . . 1.88 112.352 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 95.2 mt -101.6 5.02 41.45 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.996 0.426 . . . . 0.44 111.303 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 4.0 pt20 -51.6 -23.36 4.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.347 -0.842 . . . . 1.46 113.072 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' OE2' ' B' ' 9' ' ' GLU . 51.0 t30 -106.77 -39.02 5.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.277 0.561 . . . . 2.14 110.39 -173.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' B' ' 9' ' ' GLU . 0.1 OUTLIER -73.79 -35.71 64.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.62 0.724 . . . . 1.91 109.476 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.57 22.17 15.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.045 -0.98 . . . . 0.61 110.479 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' NZ ' ' HA2' ' A' ' 110' ' ' GLY . 10.7 ptpp? -48.49 -39.69 23.96 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.246 0.341 . . . . 2.16 111.675 -175.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 1.3 mtmp? -58.53 -42.9 88.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 1.25 110.78 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.419 -0.81 . . . . 2.13 110.333 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.528 HD21 ' HA ' ' A' ' 42' ' ' ARG . 27.4 t-20 -63.85 -16.65 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.7 111.307 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.3 mtpp -81.92 -6.38 59.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.536 . . . . 3.34 110.729 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.39 143.28 37.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.093 -0.706 . . . . 1.92 109.093 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.47 -29.33 15.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.06 0.457 . . . . 2.46 110.621 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.11 -26.61 65.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.802 -0.635 . . . . 2.5 110.529 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.73 -36.94 60.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.461 -0.57 . . . . 0.66 109.461 174.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 63' ' ' MET . 29.8 mm -64.75 -37.43 80.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.804 -0.634 . . . . 1.05 109.429 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.77 -35.11 80.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 1.86 111.054 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 22.2 m-70 -65.62 -49.29 69.26 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.973 -0.291 . . . . 1.87 111.12 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.65 -39.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.818 0.818 . . . . 1.18 109.087 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.81 -48.94 79.52 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 113.328 -1.76 . . . . 1.05 111.858 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.555 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 39.8 mt-10 -111.32 -29.58 7.76 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 115.371 -2.532 . . . . 2.37 110.973 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 62.7 m-20 -57.44 -33.16 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.987 -0.685 . . . . 1.93 109.711 170.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.665 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 55.5 mt -95.16 -13.26 25.18 Favored 'General case' 0 C--N 1.339 0.132 0 N-CA-C 112.771 0.656 . . . . 1.26 112.771 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 t0 -59.5 87.51 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.544 1.164 . . . . 1.39 110.038 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.7 -24.35 64.48 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.164 -1.835 . . . . 1.98 111.451 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -88.07 -5.08 58.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.023 -0.732 . . . . 2.25 109.023 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.44 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.761 -1.109 . . . . 1.15 112.688 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 33.8 m-20 -116.48 16.89 15.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.53 -0.304 . . . . 1.95 111.326 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.558 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.46 40.25 4.75 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.291 -1.003 . . . . 1.64 108.291 -173.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.605 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 99.0 mt-30 -142.75 138.31 30.39 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.385 -1.28 . . . . 1.59 110.129 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.684 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 14.3 mt -101.41 116.22 32.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.488 -0.323 . . . . 0.7 110.651 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 p -79.0 160.76 27.04 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.649 -0.5 . . . . 1.42 109.649 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -50.74 -36.22 35.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.701 0.286 . . . . 3.07 111.267 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.13 -30.81 63.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.889 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.684 ' OE1' ' HB3' ' A' ' 74' ' ' LEU . 8.5 tm-20 -74.39 -50.76 17.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.176 -0.609 . . . . 3.18 109.844 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HG2' ' A' ' 83' ' ' MET . 88.2 t80 -57.63 -38.45 75.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.325 0.583 . . . . 3.12 110.337 -174.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.83 HG21 ' HB2' ' B' ' 84' ' ' ALA . 1.7 tp -68.19 -45.13 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 115.534 -0.757 . . . . 2.0 109.989 178.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -36.22 73.82 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.515 0.326 . . . . 2.01 110.712 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.84 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.971 -0.752 . . . . 1.38 108.971 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 30.7 mmt -59.82 -30.93 69.26 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.701 -0.681 . . . . 0.91 110.3 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -73.91 -44.53 54.84 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 120.87 0.367 . . . . 0.35 110.714 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -59.05 -37.48 77.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.934 -0.765 . . . . 1.67 108.934 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.3 -31.78 64.24 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.747 -1.115 . . . . 1.68 110.475 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.6 m -63.97 -48.16 77.55 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.526 -0.47 . . . . 0.48 111.043 -174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -83.33 -37.52 23.28 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.993 -0.683 . . . . 3.49 110.312 -174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 94' ' ' MET . . . -67.45 -51.13 55.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.499 . . . . 1.18 111.073 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.747 ' HB2' HD12 ' A' ' 109' ' ' LEU . 92.8 p -80.01 -44.35 20.33 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 120.005 -0.678 . . . . 1.74 111.539 -174.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.02 -43.01 22.7 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.038 -0.528 . . . . 3.33 110.131 -166.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 19.9 tt0 -98.71 -22.9 15.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.848 -0.741 . . . . 3.3 112.477 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -117.63 -23.8 7.51 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 117.018 2.229 . . . . 5.63 117.018 -172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.672 ' HG2' ' O ' ' A' ' 89' ' ' ALA . 22.2 mmt -94.26 -39.99 10.22 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 116.962 -1.895 . . . . 5.55 113.537 -165.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -109.29 67.45 0.65 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.777 -0.577 . . . . 5.1 109.89 168.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -114.85 160.11 19.86 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 122.533 1.159 . . . . 5.97 113.508 -173.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.87 -4.04 3.93 Favored Glycine 0 C--N 1.318 -0.444 0 CA-C-N 112.728 -2.033 . . . . 7.17 111.446 166.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 96' ' ' GLU . 23.8 t70 -64.0 -0.15 1.05 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.874 1.27 . . . . 9.86 112.505 -168.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.97 -20.74 65.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.245 0.545 . . . . 8.93 109.686 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.89 74.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.435 -0.802 . . . . 6.76 111.17 164.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 66.9 Cg_endo -82.38 157.82 17.04 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.899 3.066 . . . . 7.95 113.706 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.05 -58.11 1.62 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 107.504 -2.238 . . . . 10.53 107.504 156.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -148.7 128.5 13.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.8 -1.556 . . . . 12.94 106.8 160.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -147.81 156.04 42.3 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.823 -0.751 . . . . 8.25 112.366 -174.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -147.12 135.51 21.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 8.24 108.734 170.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -136.95 132.66 18.36 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.498 . . . . 6.23 112.281 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.45 ' CG ' ' HB ' ' A' ' 113' ' ' THR . 77.0 Cg_endo -70.39 163.25 39.45 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 124.516 3.477 . . . . 2.91 112.008 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.603 ' HA2' ' HB2' ' A' ' 111' ' ' GLU . . . 92.94 47.86 3.03 Favored Glycine 0 N--CA 1.418 -2.505 0 C-N-CA 117.576 -2.249 . . . . 3.18 115.543 159.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.747 HD12 ' HB2' ' A' ' 90' ' ' SER . 0.9 OUTLIER -77.52 -22.27 51.43 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.887 -1.153 . . . . 2.15 107.887 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.538 ' HA2' ' NZ ' ' A' ' 50' ' ' LYS . . . -119.85 -16.9 4.79 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 109.954 -1.259 . . . . 2.79 109.954 168.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.603 ' HB2' ' HA2' ' A' ' 108' ' ' GLY . 7.7 mm-40 -102.21 157.12 17.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.177 -0.511 . . . . 3.67 110.958 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.8 106.88 2.89 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 118.395 -1.86 . . . . 2.84 110.895 169.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 107' ' ' PRO . 28.3 m -146.67 124.36 6.03 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 110.067 -0.346 . . . . 3.88 110.067 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.245 0.839 0 C-N-CA 122.975 2.45 . . . . 5.2 111.928 177.206 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.357 0.599 . . . . 9.07 110.054 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 30.5 m -129.48 111.81 13.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 6.86 110.457 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -70.13 106.79 3.4 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.819 -0.437 . . . . 5.24 109.819 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -150.53 6.78 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 2.34 111.037 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.513 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 31.7 mtt -39.18 139.84 0.47 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 124.048 0.842 . . . . 2.68 113.01 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -75.46 176.13 7.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.51 -1.223 . . . . 1.22 109.46 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -56.79 -45.25 82.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.418 . . . . 2.47 110.13 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 12' ' ' ILE . 43.2 tp -62.57 -46.18 89.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 1.81 110.935 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 84.2 mt-10 -64.65 -49.72 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 2.28 111.987 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -61.14 -34.39 74.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.907 0.384 . . . . 3.54 110.218 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' B' ' 11' ' ' ASN . 10.5 m120 -68.91 -41.3 78.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 1.7 110.66 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 8' ' ' LEU . 65.3 mt -62.54 -47.2 94.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.729 -0.471 . . . . 0.33 109.729 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -58.45 -40.54 82.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.598 -0.728 . . . . 1.95 110.054 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.5 m -68.54 -39.36 81.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.461 -0.336 . . . . 0.44 111.332 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.476 HD12 HD12 ' A' ' 15' ' ' ILE . 43.7 mt -62.76 -43.73 98.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 121.261 0.553 . . . . 0.42 109.968 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.84 -38.03 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.12 -0.945 . . . . 0.42 109.999 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -67.31 -41.07 85.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.525 -0.761 . . . . 1.76 110.388 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' B' ' 22' ' ' TYR . 40.7 m -62.15 -50.33 72.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.191 0.519 . . . . 0.8 110.179 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.81 -47.18 71.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.775 -0.648 . . . . 3.66 109.284 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -57.22 -46.39 82.98 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 114.852 -1.067 . . . . 2.83 112.38 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.559 ' HG3' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -66.54 -35.53 80.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.094 0.406 . . . . 1.45 111.21 -175.286 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.559 ' N ' ' HG3' ' B' ' 21' ' ' GLN . 90.3 m-85 -78.6 -32.74 47.69 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.525 -0.47 . . . . 1.4 110.747 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 24.7 p -78.95 -35.72 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.352 0.596 . . . . 1.04 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.562 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 4.9 p -71.63 -5.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.73 . . . . 0.69 110.924 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 50.5 mttp -62.93 -22.85 67.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.742 . . . . 2.17 109.719 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.2 mt -95.86 -5.14 42.32 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.884 -0.598 . . . . 2.04 112.227 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.95 -124.48 6.37 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 120.97 -0.633 . . . . 1.43 111.552 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -62.34 105.24 0.59 Allowed Pre-proline 0 N--CA 1.465 0.3 0 N-CA-C 106.462 -1.681 . . . . 3.7 106.462 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.671 ' O ' ' HB2' ' B' ' 23' ' ' SER . 35.5 Cg_endo -77.02 48.32 2.47 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 N-CA-C 115.699 1.384 . . . . 2.64 115.699 -149.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.82 -6.94 45.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 123.473 2.851 . . . . 2.56 112.2 -149.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.604 ' CB ' ' HB3' ' B' ' 73' ' ' GLN . 67.2 p -154.04 162.12 41.43 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.639 0.776 . . . . 1.4 110.54 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 40' ' ' LEU . 59.7 mt -99.75 121.42 41.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.959 -0.756 . . . . 0.73 108.959 163.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.567 ' HB3' ' OE2' ' B' ' 36' ' ' GLU . 11.8 t-20 -79.73 163.91 24.12 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.022 -1.071 . . . . 2.37 109.126 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' HG3' ' B' ' 63' ' ' MET . 24.0 tt0 -51.41 -37.69 49.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.987 0.366 . . . . 1.42 111.987 -172.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.09 -42.65 43.12 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.76 -0.733 . . . . 0.44 111.539 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.567 ' OE2' ' HB3' ' B' ' 33' ' ' ASN . 3.4 mp0 -62.82 -44.5 95.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.15 -0.525 . . . . 2.01 110.292 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -66.48 -44.16 83.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.47 111.497 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -54.11 -48.2 71.01 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.361 -0.607 . . . . 1.39 109.361 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' B' ' 42' ' ' ARG . 1.4 tp10 -62.92 -42.67 99.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.872 -1.058 . . . . 1.75 110.815 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 32' ' ' LEU . 10.2 tt -55.74 -46.9 77.71 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.072 -0.513 . . . . 1.43 109.706 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 91.6 t -70.01 -37.38 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.063 -0.517 . . . . 0.4 111.139 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 38' ' ' LYS . 91.6 mtt180 -62.01 -31.22 71.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.587 -0.278 . . . . 3.25 111.737 -174.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -118.48 -31.08 5.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.199 0.815 . . . . 2.33 113.199 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 5.5 m-20 -105.74 -33.65 7.95 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.161 -0.615 . . . . 1.87 112.345 -175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 95.3 mt -101.52 5.0 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.103 0.478 . . . . 0.44 111.399 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 4.0 pt20 -51.56 -23.19 3.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.261 -0.881 . . . . 1.46 113.087 -174.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.499 ' HB3' ' OE2' ' A' ' 9' ' ' GLU . 51.2 t30 -106.97 -39.11 5.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.193 0.521 . . . . 2.14 110.414 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.443 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -73.69 -35.71 65.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.565 0.698 . . . . 1.92 109.565 179.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.8 mt -110.61 22.26 15.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.041 -0.981 . . . . 0.61 110.608 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.538 ' NZ ' ' HA2' ' B' ' 110' ' ' GLY . 10.7 ptpp? -48.54 -39.8 24.72 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.128 0.268 . . . . 2.15 111.666 -176.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.461 ' HZ2' ' HB2' ' B' ' 51' ' ' LYS . 1.3 mtmp? -58.22 -43.23 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.298 0.57 . . . . 1.25 110.779 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -73.54 -33.17 64.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.495 -0.775 . . . . 2.13 110.334 175.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.529 HD21 ' HA ' ' B' ' 42' ' ' ARG . 27.2 t-20 -63.67 -16.69 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.296 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.3 mtpp -81.94 -6.25 58.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.025 -0.534 . . . . 3.34 110.822 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -139.52 143.31 37.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.075 -0.713 . . . . 1.92 109.075 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.49 -29.16 15.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.044 0.45 . . . . 2.46 110.553 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.2 -26.74 65.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 2.5 110.579 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.64 -37.1 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.408 -0.589 . . . . 0.66 109.408 174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' B' ' 63' ' ' MET . 29.3 mm -64.49 -37.68 80.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.05 109.533 175.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.62 -34.88 79.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.847 -0.615 . . . . 1.85 111.065 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 22.4 m-70 -65.83 -49.39 68.39 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.984 -0.286 . . . . 1.87 111.159 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 78.3 mt -58.56 -39.19 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.794 0.807 . . . . 1.18 109.127 174.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.563 ' HB2' ' O ' ' B' ' 59' ' ' ILE . 0.0 OUTLIER -60.66 -48.87 79.87 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 113.324 -1.762 . . . . 1.05 111.828 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 40.2 mt-10 -111.56 -29.65 7.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 115.41 -2.516 . . . . 2.36 111.02 -167.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 58.9 m-20 -57.11 -33.59 67.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.978 -0.689 . . . . 1.93 109.521 170.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.662 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 55.4 mt -94.95 -13.3 25.47 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 112.875 0.694 . . . . 1.26 112.875 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.561 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.0 t0 -59.41 87.55 0.01 OUTLIER 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.507 1.146 . . . . 1.4 110.009 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.3 m -68.94 -24.17 64.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 113.158 -1.837 . . . . 1.98 111.324 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -88.04 -5.25 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.143 -0.688 . . . . 2.25 109.143 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.26 26.58 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.602 -1.181 . . . . 1.14 112.653 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 35.6 m-20 -116.55 17.16 15.45 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.496 -0.32 . . . . 1.95 111.347 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.561 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.18 40.32 5.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.288 -1.005 . . . . 1.64 108.288 -174.076 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.604 ' HB3' ' CB ' ' B' ' 31' ' ' THR . 99.0 mt-30 -142.85 138.39 30.27 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.291 -1.322 . . . . 1.59 110.089 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.701 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 14.3 mt -101.57 116.05 31.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.332 -0.394 . . . . 0.7 110.594 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -78.93 160.82 27.08 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 109.679 -0.489 . . . . 1.41 109.679 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -50.67 -36.34 35.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.694 0.283 . . . . 3.06 111.217 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.34 -30.35 63.27 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.535 -0.302 . . . . 2.04 110.944 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.701 ' OE1' ' HB3' ' B' ' 74' ' ' LEU . 8.5 tm-20 -74.59 -50.82 16.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 120.171 -0.612 . . . . 3.18 109.838 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 83' ' ' MET . 88.3 t80 -57.64 -38.66 75.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.308 -174.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.825 HG21 ' HB2' ' A' ' 84' ' ' ALA . 1.7 tp -68.1 -45.15 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.613 -0.721 . . . . 2.0 109.949 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -36.25 73.58 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.921 0.391 . . . . 2.01 110.767 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.87 -38.18 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.763 . . . . 1.38 108.941 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 30.7 mmt -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.736 -0.666 . . . . 0.91 110.288 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.83 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -73.92 -44.64 54.45 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.868 0.366 . . . . 0.35 110.722 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' B' ' 85' ' ' ARG . 46.8 mtt180 -59.03 -37.39 76.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.92 -0.77 . . . . 1.67 108.92 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 tp -73.33 -31.89 64.26 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 114.728 -1.124 . . . . 1.68 110.526 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.3 m -64.03 -48.05 77.83 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.962 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -83.35 -37.53 23.23 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 3.49 110.363 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.659 ' O ' ' HG2' ' B' ' 94' ' ' MET . . . -67.31 -51.09 56.79 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 120.439 -0.505 . . . . 1.18 111.15 -174.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.741 ' HB2' HD12 ' B' ' 109' ' ' LEU . 93.7 p -80.15 -44.23 20.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.008 -0.677 . . . . 1.74 111.644 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -80.03 -42.99 22.69 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 115.978 -0.555 . . . . 3.33 110.229 -166.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.671 ' O ' ' HG3' ' B' ' 96' ' ' GLU . 19.8 tt0 -98.77 -22.95 15.6 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 119.858 -0.737 . . . . 3.29 112.434 -176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -117.58 -24.16 7.39 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 116.933 2.197 . . . . 5.62 116.933 -172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.659 ' HG2' ' O ' ' B' ' 89' ' ' ALA . 22.2 mmt -93.98 -39.79 10.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 116.971 -1.892 . . . . 5.55 113.54 -165.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -109.41 67.27 0.65 Allowed 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.807 -0.558 . . . . 5.11 109.821 168.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.671 ' HG3' ' O ' ' B' ' 92' ' ' GLU . 0.4 OUTLIER -115.01 159.61 20.57 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 122.317 1.056 . . . . 5.97 113.484 -173.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.5 -4.2 3.71 Favored Glycine 0 C--N 1.32 -0.331 0 CA-C-N 112.789 -2.005 . . . . 7.19 111.295 166.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' B' ' 96' ' ' GLU . 22.9 t70 -63.53 -0.23 0.89 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.942 1.297 . . . . 9.86 112.519 -168.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.86 -21.0 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.362 -0.607 . . . . 8.93 109.362 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.87 74.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.045 -0.822 . . . . 6.77 111.045 164.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 98' ' ' ASP . 67.4 Cg_endo -82.47 157.81 16.79 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.817 3.012 . . . . 7.97 113.653 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.9 -58.09 1.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 107.546 -2.221 . . . . 10.54 107.546 156.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -148.55 129.1 14.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.682 -1.599 . . . . 12.94 106.682 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -148.29 155.95 41.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.854 -0.738 . . . . 8.26 112.224 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -147.17 135.79 21.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.256 -0.884 . . . . 8.24 108.693 170.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -136.91 132.88 18.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.223 0.535 . . . . 6.24 112.163 -175.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.456 ' CG ' ' HB ' ' B' ' 113' ' ' THR . 76.5 Cg_endo -70.41 163.27 39.4 Favored 'Trans proline' 0 CA--C 1.502 -1.089 0 C-N-CA 124.449 3.433 . . . . 2.91 112.098 173.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.597 ' HA2' ' HB2' ' B' ' 111' ' ' GLU . . . 92.74 47.83 3.09 Favored Glycine 0 N--CA 1.421 -2.357 0 C-N-CA 117.411 -2.328 . . . . 3.17 115.661 159.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' B' ' 90' ' ' SER . 0.9 OUTLIER -77.37 -22.3 51.92 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.001 -1.111 . . . . 2.15 108.001 169.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.538 ' HA2' ' NZ ' ' B' ' 50' ' ' LYS . . . -119.82 -16.78 4.84 Favored Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 109.934 -1.267 . . . . 2.79 109.934 168.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.597 ' HB2' ' HA2' ' B' ' 108' ' ' GLY . 7.6 mm-40 -102.36 156.94 17.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.2 -0.5 . . . . 3.68 110.947 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -103.62 106.98 2.92 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 118.423 -1.846 . . . . 2.85 110.904 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.456 ' HB ' ' CG ' ' B' ' 107' ' ' PRO . 28.5 m -146.71 124.14 5.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.077 -0.342 . . . . 3.89 110.077 175.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 C--O 1.246 0.892 0 C-N-CA 122.883 2.389 . . . . 5.21 112.055 177.376 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.71 0.29 . . . . 9.06 110.581 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -94.04 146.41 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.7 -0.481 . . . . 6.86 109.7 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -153.34 -179.14 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.381 -0.229 . . . . 5.23 110.381 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -53.53 -47.5 69.89 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.182 0.301 . . . . 2.34 111.283 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.1 mtt -36.89 133.57 0.58 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.008 0.818 . . . . 2.68 112.786 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.511 ' HB3' ' OD2' ' B' ' 44' ' ' ASP . 18.9 t -87.01 179.51 6.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.266 -0.879 . . . . 1.22 110.57 -177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.33 -48.04 80.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.525 0.565 . . . . 2.47 112.525 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 12' ' ' ILE . 13.4 tp -67.38 -44.0 80.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.908 -0.775 . . . . 1.81 108.908 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.673 ' CD ' ' HB2' ' B' ' 48' ' ' PHE . 3.9 tp10 -55.96 -50.73 69.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.624 -1.171 . . . . 2.29 111.668 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' SER . 88.9 mtt180 -60.29 -37.72 81.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.824 -0.625 . . . . 3.54 109.983 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.543 ' ND2' ' HB ' ' B' ' 14' ' ' THR . 4.7 m-20 -69.1 -37.46 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.827 . . . . 1.71 111.1 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -62.12 -47.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 110.061 -0.348 . . . . 0.32 110.061 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -41.94 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 1.95 111.112 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.541 ' HB ' ' ND2' ' B' ' 11' ' ' ASN . 85.1 m -63.67 -37.74 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.366 0.603 . . . . 0.44 110.164 177.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' B' ' 15' ' ' ILE . 4.1 mt -64.57 -49.3 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.42 110.762 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' OG ' ' B' ' 90' ' ' SER . 93.3 mt -62.35 -39.64 84.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.42 110.697 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.703 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.2 m-80 -59.72 -40.62 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.392 -0.367 . . . . 1.76 110.589 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.708 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 73.1 m -63.43 -49.64 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.341 -0.391 . . . . 0.8 110.588 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' ' HE1' ' A' ' 79' ' ' PHE . 10.5 m-30 -58.99 -52.54 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.877 0.37 . . . . 3.66 110.686 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 1.2 p-80 -71.07 -20.92 62.31 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 112.768 0.655 . . . . 2.82 112.768 -174.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.708 ' HG2' ' O ' ' A' ' 18' ' ' THR . 25.1 pt20 -73.54 -32.31 64.13 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.678 0.672 . . . . 1.45 110.225 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 18' ' ' THR . 79.6 m-85 -78.82 -33.73 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 1.4 110.594 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 57.5 p -79.62 -30.09 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.023 0.439 . . . . 1.04 111.032 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 6.0 p -66.4 -7.0 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.054 -0.521 . . . . 0.69 111.265 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 69.1 mttm -61.52 -29.02 69.73 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.396 -0.366 . . . . 2.17 110.067 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.71 13.11 15.05 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.851 0.686 . . . . 2.04 112.851 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.45 -121.26 6.91 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.506 -0.854 . . . . 1.43 111.368 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -60.5 122.13 65.47 Favored Pre-proline 0 CA--C 1.519 -0.226 0 N-CA-C 106.078 -1.823 . . . . 3.7 106.078 165.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HB2' ' OG ' ' A' ' 23' ' ' SER . 29.8 Cg_endo -76.65 62.02 7.06 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 C-N-CA 120.62 0.88 . . . . 2.64 113.235 -153.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -32.33 69.93 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 120.853 1.661 . . . . 2.56 113.141 -149.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.586 HG21 ' OE1' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -155.44 167.43 30.4 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 125.086 1.354 . . . . 1.4 108.495 -172.058 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.36 117.22 31.11 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.808 -1.182 . . . . 0.73 107.808 160.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.574 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 2.5 m-20 -85.41 -179.46 6.95 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.348 -0.941 . . . . 2.37 109.634 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.961 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 46.7 tt0 -50.15 -43.04 51.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.651 0.612 . . . . 1.42 112.651 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.05 -41.41 40.08 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.62 -0.8 . . . . 0.44 111.917 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.574 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 4.0 mp0 -67.33 -41.05 85.87 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.074 -0.563 . . . . 2.0 110.162 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' HE2' ' O ' ' A' ' 59' ' ' ILE . 58.0 t80 -64.86 -49.98 68.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.846 . . . . 1.47 110.897 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -53.36 -45.47 69.18 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.025 -0.534 . . . . 1.38 110.703 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 24.8 tt0 -69.53 -44.69 70.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 1.74 111.677 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.46 -49.86 73.38 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -59.75 -37.13 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.398 0.618 . . . . 0.4 110.688 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 ttm180 -73.3 -29.96 63.07 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.539 -0.755 . . . . 3.25 111.947 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 56.5 mmtt -95.06 -50.52 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.265 0.468 . . . . 2.33 112.265 -172.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.623 ' CG ' ' HB3' ' B' ' 8' ' ' LEU . 1.9 t70 -103.18 -42.71 5.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.98 -0.688 . . . . 1.88 111.386 -172.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 89.8 mt -78.78 3.1 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.44 109.948 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 3.7 pt20 -51.0 -21.95 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.908 -1.042 . . . . 1.46 111.412 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.706 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 7.4 p30 -103.14 -47.08 4.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.617 -0.265 . . . . 2.14 110.762 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.669 ' HB2' ' CD ' ' B' ' 9' ' ' GLU . 15.5 t80 -68.66 -35.26 77.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 122.057 0.932 . . . . 1.91 109.435 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD12 HG13 ' A' ' 41' ' ' VAL . 62.9 mt -108.22 23.78 13.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.568 -1.196 . . . . 0.61 110.041 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 18.8 ptpt -47.5 -50.25 23.83 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.319 0.387 . . . . 2.16 111.687 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -65.81 -32.15 73.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.357 0.599 . . . . 1.25 110.742 -176.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.718 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 34.3 tt0 -76.42 -33.77 58.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.13 110.407 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -69.38 -16.3 63.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.525 -0.761 . . . . 1.7 110.334 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 29.1 mtpp -82.2 -8.51 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 3.34 110.892 -177.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.63 146.33 50.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.072 0.463 . . . . 1.92 110.078 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -84.93 -44.46 13.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 2.46 111.367 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -67.37 -24.35 65.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 2.5 111.633 -173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 4.0 t -72.85 -40.41 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.465 -0.568 . . . . 0.66 109.465 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' O ' ' HE2' ' A' ' 37' ' ' PHE . 19.7 mm -61.74 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.678 -0.86 . . . . 1.05 108.678 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 63' ' ' MET . 43.9 mt-10 -61.43 -34.55 75.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.736 -0.665 . . . . 1.86 111.344 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -60.12 -51.27 70.31 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.992 -0.283 . . . . 1.87 110.576 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 50.0 mt -69.32 -33.15 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.754 0.788 . . . . 1.18 109.936 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.961 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.6 tpt -53.51 -38.18 63.47 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.493 -1.685 . . . . 1.05 111.462 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 4.4 tm-20 -120.91 -29.92 4.51 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 114.673 -2.811 . . . . 2.37 110.988 -172.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.88 -33.93 69.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.05 -0.66 . . . . 1.93 110.235 172.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.97 -18.77 31.68 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.08 -0.388 . . . . 1.26 112.031 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 11.4 t70 -64.27 77.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 122.288 1.042 . . . . 1.39 110.949 -176.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.5 m -71.56 -21.84 61.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.858 -1.519 . . . . 1.98 110.001 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.23 -3.63 58.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.159 -0.682 . . . . 2.25 109.159 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.37 25.45 6.02 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.48 -1.237 . . . . 1.15 113.689 168.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 2.7 t70 -120.7 17.96 11.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.331 . . . . 1.95 110.703 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' NZ ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.2 2.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.071 -1.085 . . . . 1.64 108.071 -171.208 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.586 ' OE1' HG21 ' A' ' 31' ' ' THR . 76.3 mt-30 -141.06 143.21 34.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.853 -1.521 . . . . 1.59 109.528 -173.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.419 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 52.5 mt -122.06 112.82 18.71 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.283 -0.636 . . . . 0.7 109.283 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -74.43 166.32 23.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.489 -0.93 . . . . 1.42 108.489 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 25.0 p90 -51.01 -38.26 50.22 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.015 -0.274 . . . . 3.07 111.566 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.4 mt-10 -64.17 -41.33 97.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.73 0.3 . . . . 2.03 111.637 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -72.14 -44.16 63.56 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.457 0.646 . . . . 3.18 110.491 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.516 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 46.4 t80 -71.78 -28.35 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.141 -0.481 . . . . 3.12 110.955 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' B' ' 84' ' ' ALA . 4.9 tp -67.82 -37.29 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 2.0 109.338 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.49 -35.46 68.02 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.28 -0.418 . . . . 2.01 110.073 172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.1 tt -58.3 -41.8 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.435 -0.58 . . . . 1.38 109.435 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.476 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 34.5 mmt -59.14 -25.52 63.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.948 -0.569 . . . . 0.91 110.749 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.724 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.59 -35.34 60.6 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.951 0.405 . . . . 0.35 110.454 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.26 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.704 -0.85 . . . . 1.67 108.704 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 48' ' ' PHE . 31.4 mt -67.16 -34.24 77.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.057 -0.974 . . . . 1.68 109.871 175.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.409 ' HA ' HD13 ' B' ' 16' ' ' ILE . 52.5 m -65.04 -36.1 83.28 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.867 -0.333 . . . . 0.48 110.841 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.694 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.4 t-105 -66.17 -37.2 85.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.06 -0.656 . . . . 3.49 109.577 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.04 91.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 1.18 110.839 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.582 ' OG ' HD13 ' B' ' 16' ' ' ILE . 13.0 p -72.18 -23.89 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 1.74 110.939 177.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 33.1 t-80 -65.42 -33.25 75.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 3.33 109.194 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.694 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 7.0 mm-40 -75.3 -29.54 60.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.136 -0.938 . . . . 3.3 109.894 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HB2' HD12 ' A' ' 109' ' ' LEU . 24.5 ttpp -84.37 -6.67 59.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 5.63 109.87 174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.504 ' SD ' ' HG3' ' B' ' 29' ' ' PRO . 28.2 ttt -70.96 -6.56 39.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.064 -0.516 . . . . 5.55 110.488 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -73.22 70.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.501 -1.666 . . . . 5.1 106.501 163.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 98' ' ' ASP . 10.4 tp10 -111.04 158.69 18.53 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.263 -1.335 . . . . 5.97 112.011 -161.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.62 -5.3 0.2 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 113.58 -1.646 . . . . 7.17 113.126 167.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 96' ' ' GLU . 27.3 t70 -65.34 -16.82 63.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.925 0.713 . . . . 9.86 112.925 -165.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.79 -22.61 63.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 122.141 0.972 . . . . 8.93 108.761 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' HA3' ' HD2' ' A' ' 101' ' ' PRO . . . -80.59 -153.39 9.17 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 113.924 -1.489 . . . . 6.76 111.637 172.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.442 ' HD2' ' HA3' ' A' ' 100' ' ' GLY . 10.1 Cg_endo -52.62 164.28 1.52 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.704 2.936 . . . . 7.95 112.39 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.55 -7.42 79.18 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 114.944 0.738 . . . . 10.53 114.944 -157.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -140.94 126.51 18.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.352 1.076 . . . . 12.94 110.646 169.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -150.69 151.99 33.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.46 -0.791 . . . . 8.25 108.951 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -130.5 127.43 39.16 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.287 -0.565 . . . . 8.24 109.952 169.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -78.51 108.78 8.6 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.153 -0.684 . . . . 6.23 109.153 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -67.57 158.23 58.11 Favored 'Trans proline' 0 CA--C 1.511 -0.649 0 C-N-CA 122.874 2.383 . . . . 2.91 112.359 -171.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 93.41 28.4 11.59 Favored Glycine 0 N--CA 1.428 -1.894 0 CA-C-N 115.24 -0.891 . . . . 3.18 113.873 168.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 93' ' ' LYS . 2.2 tt -105.38 -43.24 5.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.269 -1.752 . . . . 2.15 106.269 162.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.706 ' HA2' ' O ' ' A' ' 47' ' ' ASN . . . -121.38 -16.24 4.33 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 114.579 -1.191 . . . . 2.79 110.431 171.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.719 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 2.9 mp0 -95.69 155.18 16.85 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.337 -0.932 . . . . 3.67 110.202 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.43 108.66 1.22 Allowed Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.361 -1.4 . . . . 2.84 111.817 169.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.8 p -112.94 139.4 22.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.088 -0.338 . . . . 3.88 110.088 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.835 2.357 . . . . 5.2 112.226 178.858 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.4 tpp . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.75 0.31 . . . . 9.07 110.652 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -93.22 146.46 23.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.751 -0.462 . . . . 6.86 109.751 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -153.28 -179.15 7.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.708 -0.224 . . . . 5.24 110.598 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -53.72 -46.76 70.92 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.258 0.349 . . . . 2.34 111.475 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 60.8 mtt -37.45 133.66 0.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.414 -0.812 . . . . 2.68 112.676 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.52 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 20.2 t -87.25 179.37 6.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.249 -0.887 . . . . 1.22 110.459 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.06 -48.05 79.49 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.676 0.621 . . . . 2.47 112.676 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.697 ' O ' HG13 ' B' ' 12' ' ' ILE . 13.4 tp -67.32 -44.04 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.966 -0.753 . . . . 1.81 108.966 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.669 ' CD ' ' HB2' ' A' ' 48' ' ' PHE . 3.9 tp10 -55.98 -50.73 70.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.584 -1.189 . . . . 2.28 111.775 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 6' ' ' SER . 89.2 mtt180 -60.19 -37.87 81.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.802 -0.635 . . . . 3.54 109.89 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.541 ' ND2' ' HB ' ' A' ' 14' ' ' THR . 4.7 m-20 -69.02 -37.43 78.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 1.7 111.132 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.697 HG13 ' O ' ' B' ' 8' ' ' LEU . 58.3 mt -62.2 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 110.062 -0.347 . . . . 0.33 110.062 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.386 . . . . 1.95 111.077 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.543 ' HB ' ' ND2' ' A' ' 11' ' ' ASN . 85.1 m -63.77 -37.78 88.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.285 0.564 . . . . 0.44 110.065 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.714 HD12 HD12 ' A' ' 15' ' ' ILE . 4.1 mt -64.47 -49.46 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.72 -0.673 . . . . 0.42 110.674 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.582 HD13 ' OG ' ' A' ' 90' ' ' SER . 93.6 mt -62.45 -39.5 84.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.688 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.694 ' HA ' ' CE1' ' B' ' 20' ' ' HIS . 10.3 m-80 -59.66 -40.72 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.42 -0.355 . . . . 1.76 110.627 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 69.5 m -63.52 -49.53 73.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.357 -0.383 . . . . 0.8 110.582 176.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' HE1' ' B' ' 79' ' ' PHE . 10.6 m-30 -58.96 -52.49 65.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 3.66 110.69 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.719 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 1.2 p-80 -71.08 -20.91 62.3 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 112.776 0.658 . . . . 2.83 112.776 -174.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' B' ' 18' ' ' THR . 25.2 pt20 -73.63 -32.29 63.97 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.647 0.658 . . . . 1.45 110.266 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' B' ' 18' ' ' THR . 79.4 m-85 -78.86 -33.72 45.64 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.27 -0.572 . . . . 1.4 110.641 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.719 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 57.8 p -79.48 -30.24 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.04 111.043 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' B' ' 20' ' ' HIS . 5.9 p -66.64 -6.25 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 116.075 -0.511 . . . . 0.69 111.309 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 69.0 mttm -62.14 -28.78 69.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.343 -0.39 . . . . 2.17 110.119 178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.97 13.16 15.45 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.884 0.698 . . . . 2.04 112.884 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.18 -121.21 6.93 Favored Glycine 0 N--CA 1.461 0.313 0 C-N-CA 120.605 -0.807 . . . . 1.43 111.322 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -60.92 122.11 66.72 Favored Pre-proline 0 CA--C 1.519 -0.234 0 N-CA-C 106.068 -1.827 . . . . 3.7 106.068 166.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.518 ' HB2' ' OG ' ' B' ' 23' ' ' SER . 30.3 Cg_endo -76.45 61.78 6.84 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 C-N-CA 120.63 0.887 . . . . 2.64 113.333 -153.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -70.44 -32.26 69.77 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 120.913 1.688 . . . . 2.56 113.129 -148.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.602 HG21 ' OE1' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -155.59 167.25 30.98 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 125.121 1.368 . . . . 1.4 108.458 -171.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.18 117.26 30.98 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.794 -1.187 . . . . 0.73 107.794 160.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.573 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 2.5 m-20 -85.02 -179.43 7.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.485 -0.886 . . . . 2.37 109.733 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.97 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 46.4 tt0 -50.3 -42.95 53.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.507 0.558 . . . . 1.42 112.507 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.12 -41.07 40.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.447 -0.882 . . . . 0.44 111.974 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.573 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.7 mp0 -67.66 -41.02 84.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 2.01 110.14 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.437 ' HE2' ' O ' ' B' ' 59' ' ' ILE . 57.8 t80 -64.89 -49.85 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.461 -0.79 . . . . 1.47 110.924 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 87.3 mttt -53.5 -45.37 69.65 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.39 110.652 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 24.3 tt0 -69.68 -44.56 70.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.851 -0.613 . . . . 1.75 111.785 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.56 -49.91 73.43 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.463 -0.569 . . . . 1.43 109.463 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.0 t -59.78 -37.02 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.439 0.638 . . . . 0.4 110.735 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.582 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 40.7 ttm180 -73.28 -30.14 63.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.513 -0.767 . . . . 3.25 111.815 -173.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 56.6 mmtt -94.92 -50.57 5.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.275 0.472 . . . . 2.33 112.275 -172.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.624 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 1.9 t70 -103.11 -42.44 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.09 -0.644 . . . . 1.87 111.456 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 90.0 mt -78.95 3.1 18.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.341 0.591 . . . . 0.44 109.926 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 3.7 pt20 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.94 -1.027 . . . . 1.46 111.536 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.708 ' O ' ' HA2' ' B' ' 110' ' ' GLY . 7.4 p30 -102.83 -47.1 4.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.445 -0.343 . . . . 2.14 110.857 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.673 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 15.6 t80 -68.68 -35.41 77.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 122.056 0.932 . . . . 1.92 109.517 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.41 HD12 HG13 ' B' ' 41' ' ' VAL . 62.8 mt -108.0 23.81 13.91 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.392 -1.276 . . . . 0.61 110.024 178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' B' ' 54' ' ' LYS . 18.8 ptpt -47.46 -50.46 23.0 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.255 0.347 . . . . 2.15 111.643 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.713 ' HD2' ' N ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -65.83 -31.99 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.474 0.654 . . . . 1.25 110.688 -176.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.713 ' N ' ' HD2' ' B' ' 51' ' ' LYS . 34.6 tt0 -76.52 -33.93 58.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.121 -0.945 . . . . 2.13 110.41 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.25 -16.31 63.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.524 -0.762 . . . . 1.7 110.461 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 50' ' ' LYS . 29.1 mtpp -82.37 -8.07 59.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.599 -0.728 . . . . 3.34 110.99 -177.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -127.72 146.72 50.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 1.92 110.089 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.33 -44.69 12.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.037 -0.529 . . . . 2.46 111.342 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -67.41 -24.28 65.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.766 -0.652 . . . . 2.5 111.736 -173.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 4.0 t -72.69 -40.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.566 -0.531 . . . . 0.66 109.566 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' B' ' 52' ' ' GLU . 19.1 mm -61.56 -40.39 86.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 N-CA-C 108.788 -0.819 . . . . 1.05 108.788 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 63' ' ' MET . 43.9 mt-10 -61.55 -34.65 75.93 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.7 -0.682 . . . . 1.85 111.214 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.87 -51.22 70.64 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 121.097 -0.241 . . . . 1.87 110.692 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.431 ' HA ' ' OD1' ' B' ' 65' ' ' ASP . 50.4 mt -69.46 -33.24 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.743 0.783 . . . . 1.18 109.961 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.97 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.6 tpt -53.36 -38.15 63.04 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.428 -1.715 . . . . 1.05 111.441 173.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 4.5 tm-20 -120.89 -30.08 4.49 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 114.527 -2.869 . . . . 2.36 110.937 -172.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -57.71 -34.28 69.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.219 173.074 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -85.62 -18.82 32.18 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 112.052 0.389 . . . . 1.26 112.052 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 11.4 t70 -64.25 78.06 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.445 1.117 . . . . 1.4 110.959 -176.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 31.2 m -71.7 -21.91 61.72 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.768 -1.56 . . . . 1.98 110.066 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.19 -3.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.043 -0.725 . . . . 2.25 109.043 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.42 25.42 6.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.531 -1.213 . . . . 1.14 113.541 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' B' ' 72' ' ' LYS . 2.5 t70 -120.59 18.14 12.02 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.113 -0.367 . . . . 1.95 110.714 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER 64.85 47.0 2.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.069 -1.086 . . . . 1.64 108.069 -171.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.602 ' OE1' HG21 ' B' ' 31' ' ' THR . 76.3 mt-30 -141.1 143.14 34.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.956 -1.474 . . . . 1.59 109.613 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 52.2 mt -122.12 112.67 18.5 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.284 -0.635 . . . . 0.7 109.284 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -74.72 166.25 23.9 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.484 -0.932 . . . . 1.41 108.484 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.461 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 25.2 p90 -50.84 -38.37 48.6 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.688 0.255 . . . . 3.06 111.688 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.599 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.9 mt-10 -64.14 -41.31 97.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 2.04 111.632 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.07 -44.08 63.86 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.531 0.681 . . . . 3.18 110.553 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.515 ' HE1' ' CE2' ' B' ' 19' ' ' PHE . 46.5 t80 -71.84 -28.27 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.07 -0.513 . . . . 3.12 110.993 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 84' ' ' ALA . 4.9 tp -67.94 -37.14 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.297 -0.631 . . . . 2.0 109.297 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -56.6 -35.48 68.3 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.989 0.423 . . . . 2.01 110.062 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 82' ' ' LEU . 3.1 tt -58.33 -41.79 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.428 -0.582 . . . . 1.38 109.428 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.478 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 34.5 mmt -59.17 -25.54 64.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.91 110.752 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.62 -35.21 60.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.878 0.37 . . . . 0.35 110.508 176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -62.37 -39.11 92.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.837 -0.801 . . . . 1.67 108.837 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 48' ' ' PHE . 31.8 mt -67.27 -34.27 77.06 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.034 -0.984 . . . . 1.68 109.793 174.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.418 ' HA ' HD13 ' A' ' 16' ' ' ILE . 51.9 m -64.9 -36.19 83.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.825 -0.35 . . . . 0.48 110.833 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.693 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t-105 -66.25 -36.98 84.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.114 -0.634 . . . . 3.49 109.534 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.93 90.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.89 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 16' ' ' ILE . 12.9 p -72.26 -23.84 61.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.774 0.321 . . . . 1.74 110.912 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 33.5 t-80 -65.5 -33.16 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.606 0.717 . . . . 3.33 109.201 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 6.9 mm-40 -75.35 -29.51 59.94 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.066 -0.97 . . . . 3.29 109.949 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -84.39 -6.83 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 5.62 109.769 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.478 ' SD ' ' HG3' ' A' ' 29' ' ' PRO . 28.2 ttt -70.95 -6.44 38.64 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.092 -0.504 . . . . 5.55 110.454 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -73.26 70.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.579 -1.637 . . . . 5.11 106.579 163.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 98' ' ' ASP . 10.5 tp10 -110.99 158.82 18.35 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.272 -1.331 . . . . 5.97 112.072 -161.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.99 -5.2 0.22 Allowed Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 113.462 -1.699 . . . . 7.19 113.175 167.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' B' ' 96' ' ' GLU . 26.7 t70 -65.46 -16.29 63.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.914 0.709 . . . . 9.86 112.914 -166.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.84 -23.58 63.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 122.069 0.938 . . . . 8.93 108.736 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.436 ' HA3' ' HD2' ' B' ' 101' ' ' PRO . . . -79.83 -153.13 8.02 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 113.977 -1.465 . . . . 6.77 111.77 172.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.436 ' HD2' ' HA3' ' B' ' 100' ' ' GLY . 10.2 Cg_endo -52.55 164.33 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.737 2.958 . . . . 7.97 112.504 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.67 -7.64 80.17 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.999 0.76 . . . . 10.54 114.999 -157.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -140.88 126.39 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.095 0.948 . . . . 12.94 110.56 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -150.48 152.51 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.399 -0.818 . . . . 8.26 108.875 173.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.72 127.49 38.91 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.354 -0.538 . . . . 8.24 109.95 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -78.32 109.02 8.94 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.172 -0.677 . . . . 6.24 109.172 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.405 ' HA ' ' OE2' ' B' ' 111' ' ' GLU . 91.6 Cg_endo -67.68 158.11 58.68 Favored 'Trans proline' 0 CA--C 1.51 -0.683 0 C-N-CA 122.831 2.354 . . . . 2.91 112.341 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.725 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 93.49 28.71 11.0 Favored Glycine 0 N--CA 1.427 -1.922 0 CA-C-N 115.268 -0.878 . . . . 3.17 113.837 168.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.2 tt -105.56 -43.23 4.99 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.323 -1.732 . . . . 2.15 106.323 162.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.708 ' HA2' ' O ' ' B' ' 47' ' ' ASN . . . -121.42 -16.36 4.27 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 114.403 -1.271 . . . . 2.79 110.424 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.725 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 2.8 mp0 -95.38 155.45 16.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.497 -0.852 . . . . 3.68 110.221 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -123.67 108.56 1.19 Allowed Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 119.355 -1.403 . . . . 2.85 111.827 169.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 23.1 p -112.8 139.58 23.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 110.113 -0.328 . . . . 3.89 110.113 171.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.743 2.295 . . . . 5.21 111.985 178.447 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.534 -0.173 . . . . 9.06 110.534 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m 59.57 63.37 1.54 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.378 0.424 . . . . 6.86 110.335 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t 69.54 135.43 0.03 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.307 -0.86 . . . . 5.23 110.44 -174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -86.17 9.59 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.151 -0.477 . . . . 2.34 111.637 -174.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.439 ' HB3' ' HB2' ' A' ' 9' ' ' GLU . 66.3 mtm -42.09 129.33 3.66 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.689 0.618 . . . . 2.68 111.263 173.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -75.39 178.38 5.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.783 -1.099 . . . . 1.22 110.874 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.475 HE21 ' CG2' ' B' ' 14' ' ' THR . 44.0 tt0 -55.78 -45.28 78.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.385 -0.371 . . . . 2.47 110.4 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' ILE . 14.5 tp -65.81 -45.76 81.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.118 -0.492 . . . . 1.81 110.445 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.685 ' OE1' ' HA ' ' B' ' 45' ' ' LEU . 4.5 mm-40 -57.44 -51.32 69.91 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 2.29 110.854 -174.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.79 -38.52 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.434 -0.803 . . . . 3.54 110.951 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.64 -40.28 76.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 1.71 110.664 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.0 mt -62.66 -47.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.32 110.034 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.68 -35.66 72.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.785 -0.643 . . . . 1.95 111.555 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.494 ' CG2' HE21 ' B' ' 7' ' ' GLN . 50.1 m -66.4 -39.01 88.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.192 0.52 . . . . 0.44 110.495 178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 66.4 mt -67.38 -48.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 0.42 110.39 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 12' ' ' ILE . 67.0 mt -60.41 -36.94 72.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.591 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.85 -39.69 83.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.684 -0.234 . . . . 1.76 111.151 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 55.6 m -62.56 -44.47 96.25 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.315 -0.624 . . . . 0.8 109.315 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -53.87 -49.08 69.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.546 -0.752 . . . . 3.66 109.817 170.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -55.58 -50.85 68.99 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.883 -0.599 . . . . 2.82 112.313 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.2 pt20 -61.67 -37.56 84.53 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.201 -0.2 . . . . 1.45 111.067 -173.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.89 -38.74 36.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.705 -0.398 . . . . 1.4 111.283 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.818 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 36.8 p -69.99 -38.66 76.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.496 0.665 . . . . 1.04 110.741 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.8 p -72.11 -3.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.281 -0.872 . . . . 0.69 111.452 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' A' ' 36' ' ' GLU . 48.0 mtpt -63.97 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 2.17 109.754 174.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tt -88.17 -23.51 23.59 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.683 -0.69 . . . . 2.04 111.062 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -105.21 1.04 Allowed Glycine 0 C--O 1.228 -0.263 0 N-CA-C 111.44 -0.664 . . . . 1.43 111.44 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.98 95.34 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.212 0 N-CA-C 106.759 -1.571 . . . . 3.7 106.759 166.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.818 ' O ' ' HB2' ' A' ' 23' ' ' SER . 62.8 Cg_endo -74.7 31.55 0.35 Allowed 'Trans proline' 0 C--O 1.219 -0.441 0 N-CA-C 116.319 1.623 . . . . 2.64 116.319 -151.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 5.81 2.2 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.282 2.764 . . . . 2.56 113.87 -146.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -156.74 163.7 38.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.493 0.717 . . . . 1.4 110.771 -174.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.22 123.97 42.57 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.33 -0.989 . . . . 0.73 108.33 160.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.83 173.49 12.55 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.812 -0.755 . . . . 2.37 109.672 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 6.0 tt0 -50.66 -44.26 57.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.365 0.416 . . . . 1.42 111.081 -178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.15 70.36 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.639 -0.791 . . . . 0.44 111.593 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 1.2 mp0 -69.29 -43.36 73.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.576 -0.312 . . . . 2.0 111.172 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.07 -49.46 69.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.82 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 44.3 mtpt -64.25 -33.53 76.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.399 . . . . 1.38 110.481 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' HE2' ' A' ' 43' ' ' LYS . 34.2 tt0 -69.81 -45.45 67.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.647 -0.706 . . . . 1.74 110.411 177.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.21 -46.85 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.43 109.728 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 70.2 t -59.39 -37.43 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.4 110.565 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 14.2 ttm180 -72.94 -28.3 62.35 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.99 -0.55 . . . . 3.25 111.701 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HE2' ' HG3' ' A' ' 39' ' ' GLU . 66.7 mttm -104.72 -45.96 4.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.314 0.857 . . . . 2.33 113.314 -173.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -43.67 7.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.049 -0.66 . . . . 1.88 111.494 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 59.9 mt -86.96 3.08 47.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.932 0.396 . . . . 0.44 110.614 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 16.1 pt20 -52.25 -24.38 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.64 . . . . 1.46 111.609 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.486 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 2.9 t-20 -94.88 -48.51 5.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.374 -0.375 . . . . 2.14 110.465 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.657 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -76.23 -35.41 59.03 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 1.91 110.344 -175.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.6 mt -99.23 26.54 5.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 0.61 110.024 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.12 -57.31 3.47 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.0 -0.545 . . . . 2.16 111.713 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.43 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.779 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 0.7 OUTLIER -73.11 -38.03 66.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 2.13 110.557 176.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -15.69 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.614 0.721 . . . . 1.7 110.177 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -82.03 -3.66 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.167 -0.924 . . . . 3.34 110.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -131.27 169.75 15.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 1.92 110.399 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -109.39 -49.56 3.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 2.46 110.001 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.06 -31.0 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.788 -0.642 . . . . 2.5 111.589 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 23.1 t -64.53 -35.81 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.43 -0.35 . . . . 0.66 110.317 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.411 HD12 HG11 ' A' ' 41' ' ' VAL . 11.5 mm -70.58 -35.83 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 1.05 109.663 178.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.4 -36.68 83.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.179 -0.464 . . . . 1.86 110.931 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -67.53 -48.5 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 1.87 110.32 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.32 -33.87 63.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.356 0.598 . . . . 1.18 109.83 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.41 ' CE ' ' HG ' ' A' ' 74' ' ' LEU . 13.7 tpt -60.8 -52.6 64.39 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 114.565 -1.198 . . . . 1.05 111.586 176.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.0 tt0 -99.13 -28.26 13.45 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 113.665 -3.214 . . . . 2.37 108.842 -159.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.099 -0.64 . . . . 1.93 110.395 168.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 57.2 mt -74.72 -30.62 61.58 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.9 -0.32 . . . . 1.26 111.427 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 32.9 t0 -63.69 78.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.834 0.854 . . . . 1.39 111.43 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.2 m -63.49 -26.3 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.013 -0.994 . . . . 1.98 111.001 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.58 -4.46 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.471 -0.566 . . . . 2.25 109.471 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.55 25.64 4.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.79 -1.096 . . . . 1.15 112.814 172.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -119.61 22.87 11.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 1.95 111.109 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.96 41.96 4.49 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.616 -0.883 . . . . 1.64 108.616 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 92.6 mt-30 -141.74 142.0 33.27 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.467 -1.242 . . . . 1.59 110.257 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HG ' ' CE ' ' A' ' 63' ' ' MET . 42.0 mt -119.18 113.36 20.77 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.948 -0.76 . . . . 0.7 108.948 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.489 ' HB3' ' OE2' ' A' ' 78' ' ' GLU . 7.7 t -77.74 172.15 13.86 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.757 -1.201 . . . . 1.42 107.757 174.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.511 ' CB ' HG21 ' B' ' 87' ' ' THR . 1.4 p90 -53.84 -39.93 66.04 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.702 0.63 . . . . 3.07 112.702 -175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 80' ' ' ILE . 48.1 mt-10 -67.39 -36.16 80.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.971 0.415 . . . . 2.03 110.86 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.489 ' OE2' ' HB3' ' A' ' 75' ' ' SER . 1.4 mp0 -69.83 -46.22 66.09 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.505 0.669 . . . . 3.18 109.906 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 60.7 t80 -68.68 -29.2 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.672 . . . . 3.12 111.105 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.0 tp -69.45 -40.21 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.422 -0.511 . . . . 2.0 110.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.53 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 89.4 mmm -55.21 -31.88 61.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 2.01 111.328 170.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 2.7 tm? -62.75 -39.21 93.43 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.631 -0.507 . . . . 1.38 109.631 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.6 mmt -60.23 -30.62 69.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.91 109.958 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.73 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -75.76 -30.61 59.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.35 110.607 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' MET . 32.0 mtp85 -68.12 -36.44 79.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.645 0.736 . . . . 1.67 109.128 176.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.91 -30.28 70.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.126 -0.943 . . . . 1.68 109.411 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.51 HG21 ' CB ' ' B' ' 76' ' ' PHE . 76.7 m -70.86 -26.36 63.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.518 -0.473 . . . . 0.48 110.562 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.3 m0 -66.06 -36.04 82.16 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.388 -0.967 . . . . 3.49 108.388 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -63.48 -46.03 88.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.914 -1.039 . . . . 1.18 110.508 175.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 94' ' ' MET . 37.9 m -77.06 -1.54 29.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.219 -0.446 . . . . 1.74 111.876 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 39.5 t-80 -80.62 -40.93 24.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 3.33 108.284 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 2.6 pt-20 -79.46 -38.05 35.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.635 -1.166 . . . . 3.3 110.105 172.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -86.07 9.85 16.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.379 0.609 . . . . 5.63 110.536 179.078 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' ' 90' ' ' SER . 17.3 tmm? -60.93 -24.76 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 5.55 110.48 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -83.05 68.8 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.523 -0.547 . . . . 5.1 109.523 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 38.1 tt0 -99.2 122.21 42.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.578 -0.737 . . . . 5.97 109.874 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.83 -13.62 82.91 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.566 -0.743 . . . . 7.17 111.582 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 34.1 m-20 -70.16 -31.61 69.19 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.798 0.332 . . . . 9.86 111.544 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.73 20.3 12.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.07 0.462 . . . . 8.93 110.475 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.23 -162.09 9.2 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.428 -0.891 . . . . 6.76 113.374 -172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 104' ' ' HIS . 54.3 Cg_exo -55.63 163.28 5.47 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 124.181 3.254 . . . . 7.95 112.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.93 -7.3 83.85 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.568 -0.742 . . . . 10.53 113.363 -166.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -137.92 127.1 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.492 0.663 . . . . 12.94 109.31 169.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.626 ' CE1' ' HD2' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -150.16 167.18 27.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.522 -1.217 . . . . 8.25 109.639 -173.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -90.71 160.1 16.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 8.24 109.8 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 40.6 ttmt -68.13 130.66 92.42 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 114.264 1.209 . . . . 6.23 114.264 -156.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 71.7 Cg_endo -67.14 164.85 28.61 Favored 'Trans proline' 0 CA--C 1.511 -0.666 0 C-N-CA 124.851 3.701 . . . . 2.91 110.864 168.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 111' ' ' GLU . . . 98.21 50.74 1.55 Allowed Glycine 0 N--CA 1.428 -1.837 0 C-N-CA 117.778 -2.153 . . . . 3.18 115.307 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -74.35 -33.09 63.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.221 -1.4 . . . . 2.15 107.221 169.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.579 ' N ' HD22 ' A' ' 109' ' ' LEU . . . -123.69 -16.9 3.26 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.386 -1.086 . . . . 2.79 110.386 163.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.519 ' HB2' ' HA2' ' A' ' 108' ' ' GLY . 1.5 mt-10 -81.37 155.93 25.7 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.623 -0.788 . . . . 3.67 111.485 -171.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.91 106.93 2.02 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.137 -1.506 . . . . 2.84 111.047 165.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' A' ' 107' ' ' PRO . 69.5 m -130.09 134.53 26.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.245 -0.65 . . . . 3.88 109.245 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 122.992 2.461 . . . . 5.2 112.65 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.399 -0.223 . . . . 9.07 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.8 m 59.56 63.56 1.5 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.002 0.43 . . . . 6.86 110.327 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t 69.22 135.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.298 -0.865 . . . . 5.24 110.515 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -85.93 9.74 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 2.34 111.799 -174.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' B' ' 9' ' ' GLU . 65.6 mtm -42.41 129.27 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.842 0.714 . . . . 2.68 111.183 173.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -75.31 178.52 5.77 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.798 -1.092 . . . . 1.22 110.958 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . 0.494 HE21 ' CG2' ' A' ' 14' ' ' THR . 44.1 tt0 -55.88 -45.31 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.302 -0.408 . . . . 2.47 110.271 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.546 ' O ' HG13 ' B' ' 12' ' ' ILE . 14.4 tp -65.84 -45.77 80.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.81 110.541 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.701 ' OE1' ' HA ' ' A' ' 45' ' ' LEU . 4.4 mm-40 -57.32 -51.32 69.85 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.261 0.553 . . . . 2.28 110.876 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -60.81 -38.54 85.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 3.54 110.958 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.7 -40.22 76.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 1.7 110.552 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.546 HG13 ' O ' ' B' ' 8' ' ' LEU . 84.1 mt -62.83 -47.83 90.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.394 . . . . 0.33 109.973 177.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.68 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 1.95 111.66 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.475 ' CG2' HE21 ' A' ' 7' ' ' GLN . 48.1 m -66.48 -39.17 88.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.128 0.489 . . . . 0.44 110.478 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 66.1 mt -67.32 -48.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.42 110.368 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 12' ' ' ILE . 67.2 mt -60.41 -36.85 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.679 -0.691 . . . . 0.42 110.634 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -67.84 -39.94 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.629 -0.259 . . . . 1.76 111.118 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 54.2 m -62.33 -44.63 96.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.285 -0.635 . . . . 0.8 109.285 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -53.86 -48.93 69.51 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.493 -0.776 . . . . 3.66 109.858 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -55.73 -50.82 69.33 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.964 -0.562 . . . . 2.83 112.287 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 18' ' ' THR . 21.2 pt20 -61.65 -37.54 84.39 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.179 -0.208 . . . . 1.45 111.017 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -79.01 -38.58 36.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.64 -0.424 . . . . 1.4 111.261 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.812 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 36.9 p -70.08 -38.74 75.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.488 0.661 . . . . 1.04 110.623 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.561 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.8 p -72.12 -4.18 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.376 -0.829 . . . . 0.69 111.411 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HG3' ' B' ' 36' ' ' GLU . 47.9 mtpt -63.88 -22.43 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 2.17 109.678 174.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.32 -23.48 23.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.667 -0.697 . . . . 2.04 111.119 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.68 -105.25 1.04 Allowed Glycine 0 C--O 1.229 -0.171 0 N-CA-C 111.379 -0.688 . . . . 1.43 111.379 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.93 95.42 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.205 0 N-CA-C 106.721 -1.585 . . . . 3.7 106.721 166.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.812 ' O ' ' HB2' ' B' ' 23' ' ' SER . 61.8 Cg_endo -74.73 31.69 0.35 Allowed 'Trans proline' 0 C--O 1.22 -0.4 0 N-CA-C 116.316 1.622 . . . . 2.64 116.316 -151.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.71 5.82 2.28 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 123.386 2.812 . . . . 2.56 113.74 -146.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 0.6 OUTLIER -156.67 163.62 39.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.476 0.71 . . . . 1.4 110.88 -174.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.27 124.04 42.68 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.309 -0.997 . . . . 0.73 108.309 160.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -80.96 173.15 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.778 -0.769 . . . . 2.37 109.626 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' B' ' 38' ' ' LYS . 6.0 tt0 -50.25 -44.16 53.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.91 0.386 . . . . 1.42 111.19 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.26 -35.19 69.75 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.646 -0.788 . . . . 0.44 111.647 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' HD3' ' B' ' 25' ' ' LYS . 1.3 mp0 -69.47 -43.29 73.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.343 . . . . 2.01 111.149 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 41' ' ' VAL . 55.0 t80 -65.02 -49.56 69.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.825 -177.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 34' ' ' GLN . 44.0 mtpt -64.05 -33.56 76.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.901 0.381 . . . . 1.39 110.5 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.414 ' HG3' ' HE2' ' B' ' 43' ' ' LYS . 34.2 tt0 -69.71 -45.49 68.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.723 -0.671 . . . . 1.75 110.477 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.36 -46.77 85.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 1.43 109.74 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 70.5 t -59.33 -37.39 69.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.81 -0.632 . . . . 0.4 110.593 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.665 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 14.3 ttm180 -73.0 -28.46 62.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 3.25 111.674 -175.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.414 ' HE2' ' HG3' ' B' ' 39' ' ' GLU . 66.7 mttm -104.62 -45.98 4.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.34 0.867 . . . . 2.33 113.34 -173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.41 -43.78 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.064 -0.654 . . . . 1.87 111.518 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.685 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 60.9 mt -86.9 2.97 47.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 0.44 110.665 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.665 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 16.1 pt20 -52.3 -24.12 6.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.747 -0.66 . . . . 1.46 111.643 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.475 ' O ' ' HA3' ' B' ' 110' ' ' GLY . 3.0 t-20 -94.99 -48.53 5.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.407 -0.36 . . . . 2.14 110.342 -176.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.647 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -76.18 -35.45 59.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.339 0.59 . . . . 1.92 110.361 -175.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -99.27 26.66 5.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.393 -0.821 . . . . 0.61 110.022 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -44.22 -57.38 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.657 0.598 . . . . 2.15 111.718 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 1.25 111.68 -178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.467 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -73.13 -37.99 66.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.376 . . . . 2.13 110.626 176.296 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -69.71 -15.68 63.2 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.63 0.728 . . . . 1.7 110.116 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -81.97 -3.98 55.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.173 -0.921 . . . . 3.34 110.127 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -131.02 169.88 15.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.92 110.305 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -109.56 -49.45 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.923 -0.581 . . . . 2.46 110.035 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -62.15 -31.06 71.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 2.5 111.571 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 22.8 t -64.43 -35.96 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.98 0.419 . . . . 0.66 110.322 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.408 HD12 HG11 ' B' ' 41' ' ' VAL . 11.6 mm -70.55 -35.91 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.577 -0.527 . . . . 1.05 109.577 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.41 -36.77 83.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.112 0.482 . . . . 1.85 110.809 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -67.56 -48.33 67.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 1.87 110.372 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 58' ' ' VAL . 59.1 mt -63.44 -33.71 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 1.18 109.942 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.42 ' CE ' ' HG ' ' B' ' 74' ' ' LEU . 13.7 tpt -60.87 -52.58 64.47 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 114.528 -1.214 . . . . 1.05 111.699 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.521 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 26.5 tt0 -99.22 -28.12 13.48 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 113.671 -3.212 . . . . 2.36 108.764 -159.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.68 -38.0 71.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.262 -0.575 . . . . 1.93 110.495 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' B' ' 78' ' ' GLU . 56.7 mt -75.04 -30.67 61.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.958 -0.297 . . . . 1.26 111.412 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 31.2 t0 -63.68 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.076 0.86 . . . . 1.4 111.277 -175.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.6 m -64.29 -26.57 68.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.904 -1.044 . . . . 1.98 110.961 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -87.47 -4.29 59.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 2.25 109.523 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 53.78 25.65 5.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.029 -0.987 . . . . 1.14 112.758 171.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.75 22.88 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.5 -0.318 . . . . 1.95 111.205 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.95 41.95 4.52 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.591 -0.892 . . . . 1.64 108.591 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.464 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 92.7 mt-30 -141.72 142.42 33.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.374 -1.284 . . . . 1.59 110.122 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.42 ' HG ' ' CE ' ' B' ' 63' ' ' MET . 41.7 mt -119.59 113.32 20.53 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.009 -0.737 . . . . 0.7 109.009 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.476 ' HB3' ' OE2' ' B' ' 78' ' ' GLU . 7.6 t -77.68 171.98 14.11 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.876 -1.157 . . . . 1.41 107.876 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' A' ' 87' ' ' THR . 1.3 p90 -53.66 -40.06 65.57 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 112.612 0.597 . . . . 3.06 112.612 -175.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.483 ' O ' HG22 ' B' ' 80' ' ' ILE . 47.0 mt-10 -67.56 -35.54 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 2.04 110.952 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.476 ' OE2' ' HB3' ' B' ' 75' ' ' SER . 1.4 mp0 -70.43 -46.18 64.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.593 0.711 . . . . 3.18 109.824 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.474 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 60.5 t80 -68.7 -29.15 67.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.635 -0.712 . . . . 3.12 111.134 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.0 tp -69.56 -40.13 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.387 -0.525 . . . . 2.0 110.012 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 89.0 mmm -55.3 -31.76 61.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.52 0.2 . . . . 2.01 111.323 170.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 2.7 tm? -62.82 -39.17 93.49 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.625 -0.509 . . . . 1.38 109.625 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.5 mmt -60.3 -30.39 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.91 110.039 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -75.85 -30.65 58.99 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.687 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' B' ' 81' ' ' MET . 32.2 mtp85 -67.97 -36.74 80.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.664 0.745 . . . . 1.67 109.115 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.8 -30.15 70.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.155 -0.929 . . . . 1.68 109.445 171.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.511 HG21 ' CB ' ' A' ' 76' ' ' PHE . 77.3 m -70.91 -26.47 63.23 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 120.458 -0.497 . . . . 0.48 110.518 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.523 ' CD2' ' HA ' ' B' ' 85' ' ' ARG . 44.2 m0 -65.94 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.456 -0.942 . . . . 3.49 108.456 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -63.8 -45.92 87.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.911 -1.04 . . . . 1.18 110.49 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' B' ' 94' ' ' MET . 36.8 m -76.92 -1.74 30.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.271 -0.422 . . . . 1.74 111.906 174.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -80.57 -40.99 24.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 3.33 108.316 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 2.7 pt-20 -79.51 -37.91 35.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.704 -1.134 . . . . 3.29 110.136 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.499 ' O ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -85.96 9.59 16.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.362 0.601 . . . . 5.62 110.59 178.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' B' ' 90' ' ' SER . 17.1 tmm? -60.8 -24.72 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 5.55 110.52 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -83.07 68.67 9.63 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.503 -0.555 . . . . 5.11 109.503 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 38.2 tt0 -98.85 122.44 42.09 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.585 -0.734 . . . . 5.97 109.898 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.97 -13.82 82.79 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.507 -0.769 . . . . 7.19 111.5 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.443 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 29.8 m-20 -70.22 -31.46 68.9 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 120.711 0.291 . . . . 9.86 111.634 -173.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.01 20.33 12.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.909 0.385 . . . . 8.93 110.607 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.29 -162.1 9.2 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.467 -0.873 . . . . 6.77 113.349 -173.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.624 ' HD2' ' CE1' ' B' ' 104' ' ' HIS . 54.4 Cg_exo -55.51 163.39 5.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 124.338 3.359 . . . . 7.97 112.967 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.84 -7.28 83.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.448 -0.796 . . . . 10.54 113.376 -166.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -138.19 127.02 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.546 0.688 . . . . 12.94 109.211 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.624 ' CE1' ' HD2' ' B' ' 101' ' ' PRO . 0.1 OUTLIER -150.28 167.02 28.21 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.513 -1.221 . . . . 8.26 109.624 -173.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -90.56 160.18 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 8.24 109.74 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' B' ' 107' ' ' PRO . 40.6 ttmt -68.0 130.78 92.54 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 114.24 1.2 . . . . 6.24 114.24 -156.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.537 ' O ' ' HG2' ' B' ' 106' ' ' LYS . 73.6 Cg_endo -67.36 165.08 28.16 Favored 'Trans proline' 0 CA--C 1.509 -0.726 0 C-N-CA 124.785 3.657 . . . . 2.91 110.895 168.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.525 ' HA2' ' HB2' ' B' ' 111' ' ' GLU . . . 98.12 50.8 1.55 Allowed Glycine 0 N--CA 1.429 -1.814 0 C-N-CA 117.78 -2.152 . . . . 3.17 115.224 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.587 HD22 ' N ' ' B' ' 110' ' ' GLY . 0.0 OUTLIER -74.39 -33.2 62.97 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.323 -1.362 . . . . 2.15 107.323 169.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.587 ' N ' HD22 ' B' ' 109' ' ' LEU . . . -123.57 -16.81 3.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.461 -1.056 . . . . 2.79 110.461 163.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.525 ' HB2' ' HA2' ' B' ' 108' ' ' GLY . 1.4 mt-10 -81.33 156.06 25.69 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.674 -0.763 . . . . 3.68 111.376 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.02 106.95 2.01 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 119.134 -1.508 . . . . 2.85 110.989 165.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.448 ' HB ' ' HG2' ' B' ' 107' ' ' PRO . 63.5 m -130.2 134.21 25.84 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.282 -0.636 . . . . 3.89 109.282 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--O 1.249 1.056 0 C-N-CA 122.983 2.455 . . . . 5.21 112.615 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.932 0.396 . . . . 9.06 110.675 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -96.6 -83.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.808 -0.442 . . . . 6.86 109.808 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -70.98 -46.28 62.59 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.795 -1.187 . . . . 5.23 107.795 169.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' HE2' ' CD ' ' B' ' 46' ' ' GLN . 20.3 tptt -169.72 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.806 -1.088 . . . . 2.34 110.756 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.699 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 94.3 mtp -23.1 116.64 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.845 1.341 . . . . 2.68 113.537 -174.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -75.84 176.9 7.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.965 -1.471 . . . . 1.22 111.509 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.466 HE21 ' CG2' ' B' ' 14' ' ' THR . 54.2 tt0 -58.27 -48.38 80.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.109 0.481 . . . . 2.47 110.919 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' HG13 ' A' ' 12' ' ' ILE . 3.2 tm? -63.21 -43.67 97.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.139 -0.937 . . . . 1.81 109.13 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' OE1' ' HA ' ' A' ' 5' ' ' MET . 7.2 tt0 -63.19 -50.17 71.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.132 -1.395 . . . . 2.29 111.701 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HD2' ' HE1' ' A' ' 5' ' ' MET . 18.3 mmm180 -59.73 -35.39 74.46 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.954 -0.567 . . . . 3.54 111.176 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 11.5 m120 -66.96 -37.56 84.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.871 -0.604 . . . . 1.71 110.841 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 28.7 mt -62.47 -49.51 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.32 109.965 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.6 -42.42 92.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.365 -0.834 . . . . 1.95 110.186 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.482 ' CG2' HE21 ' B' ' 7' ' ' GLN . 40.0 m -65.61 -41.62 92.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.839 -0.619 . . . . 0.44 110.919 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' B' ' 15' ' ' ILE . 8.7 mt -63.35 -47.08 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.321 -0.399 . . . . 0.42 110.664 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 12' ' ' ILE . 96.7 mt -56.44 -52.11 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 0.42 111.531 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.71 0.263 . . . . 1.76 111.71 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.756 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 84.0 m -71.02 -51.59 24.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.425 -0.51 . . . . 0.8 110.383 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HD2' HD11 ' A' ' 32' ' ' LEU . 38.3 m-85 -59.35 -42.33 91.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.034 0.445 . . . . 3.66 110.348 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 8.7 t-80 -70.66 -23.99 62.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.794 -0.639 . . . . 2.82 111.83 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.756 ' HG2' ' O ' ' A' ' 18' ' ' THR . 21.1 pt20 -73.59 -32.15 63.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.219 -0.66 . . . . 1.45 109.219 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 18' ' ' THR . 92.3 m-85 -79.59 -33.24 41.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.4 110.962 174.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 29' ' ' PRO . 84.7 p -66.63 -41.62 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.573 0.702 . . . . 1.04 109.19 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 28' ' ' HIS . 4.2 p -75.65 -3.62 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.051 -0.977 . . . . 0.69 112.155 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 27.5 mtpp -58.92 -29.38 67.04 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.798 0.666 . . . . 2.17 112.798 -176.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 29' ' ' PRO . 25.1 tp -89.95 12.63 16.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.146 0.498 . . . . 2.04 111.095 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.09 -96.5 0.22 Allowed Glycine 0 N--CA 1.453 -0.223 0 N-CA-C 111.402 -0.679 . . . . 1.43 111.402 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.684 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 76.6 m-70 -131.32 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 113.431 0.9 . . . . 3.7 113.431 170.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 28' ' ' HIS . 85.5 Cg_exo -56.48 166.37 3.6 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.55 2.167 . . . . 2.64 115.388 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.71 8.76 10.64 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.466 -2.152 . . . . 2.56 108.317 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -127.63 149.55 50.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.03 -1.441 . . . . 1.4 109.727 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD11 ' HD2' ' A' ' 19' ' ' PHE . 76.3 mt -91.88 118.77 31.04 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 108.195 -1.039 . . . . 0.73 108.195 169.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' OE2' ' A' ' 36' ' ' GLU . 1.7 m-20 -85.41 168.81 14.27 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.559 -0.904 . . . . 2.37 108.559 178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.901 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 29.8 tt0 -51.23 -40.17 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.413 0.523 . . . . 1.42 112.413 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.02 -41.91 38.68 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.668 -0.777 . . . . 0.44 111.931 -177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.523 ' OE2' ' HB2' ' A' ' 33' ' ' ASN . 4.9 mp0 -65.79 -40.79 92.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.181 -0.51 . . . . 2.0 110.732 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.31 -47.32 76.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.47 110.919 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 94.4 mttt -54.05 -48.31 70.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.781 0.324 . . . . 1.38 110.609 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.689 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 37.2 tt0 -64.66 -46.82 80.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.654 . . . . 1.74 110.751 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 19' ' ' PHE . 9.4 tt -57.44 -50.23 73.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 1.43 109.915 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 50.2 t -55.91 -37.1 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.4 110.903 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.575 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 79.7 mtt180 -70.46 -30.15 66.91 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.36 0.874 . . . . 3.25 113.36 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.48 -41.93 4.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.535 1.309 . . . . 2.33 114.535 -173.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . 2.0 p30 -106.8 -25.42 11.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.426 1.012 . . . . 1.88 113.059 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 96.2 mt -98.24 1.84 47.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.996 0.427 . . . . 0.44 110.357 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.616 ' CD ' ' HE2' ' B' ' 4' ' ' LYS . 14.8 pt20 -53.21 -21.22 4.88 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.318 0.858 . . . . 1.46 113.318 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.489 ' HB3' ' CD ' ' B' ' 9' ' ' GLU . 26.0 t-20 -95.35 -39.35 10.07 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.987 -0.445 . . . . 2.14 109.954 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HA ' ' HB2' ' A' ' 109' ' ' LEU . 2.6 m-30 -73.59 -35.65 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.482 0.658 . . . . 1.91 110.594 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 86' ' ' LEU . 87.8 mt -106.77 26.4 10.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.404 -0.817 . . . . 0.61 109.593 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 39.2 ttmt -46.0 -59.5 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 2.16 112.952 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -69.14 -30.79 69.12 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.128 -0.629 . . . . 1.25 110.259 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 58' ' ' VAL . 15.5 mp0 -65.23 -37.69 88.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 2.13 111.551 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 46' ' ' GLN . 21.3 p30 -72.78 -14.64 61.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.919 0.39 . . . . 1.7 111.298 -170.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.36 -9.06 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 3.34 110.562 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -122.81 145.7 48.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 1.92 109.629 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 48.5 mt-10 -87.93 -39.95 14.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.219 -0.446 . . . . 2.46 110.641 -177.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.45 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.602 -0.726 . . . . 2.5 111.522 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG11 ' HG3' ' A' ' 52' ' ' GLU . 43.5 t -65.68 -41.75 91.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.66 110.278 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.488 HD12 HG11 ' A' ' 41' ' ' VAL . 19.0 mm -69.17 -35.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.562 -0.533 . . . . 1.05 109.562 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 47.8 mt-10 -59.54 -36.17 75.64 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.283 -0.417 . . . . 1.86 110.987 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -68.42 -49.01 63.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.631 -0.258 . . . . 1.87 110.702 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.06 -33.8 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 121.965 0.888 . . . . 1.18 109.568 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.901 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 11.2 tpt -60.31 -39.62 87.63 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 113.257 -1.792 . . . . 1.05 111.959 176.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 7.9 tm-20 -115.64 -27.7 7.01 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.313 -2.955 . . . . 2.37 109.668 -169.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -34.02 64.53 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.035 -0.266 . . . . 1.93 110.39 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -91.42 -11.8 36.61 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 112.588 0.588 . . . . 1.26 112.588 174.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.571 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 16.5 t0 -63.6 94.72 0.09 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.558 1.171 . . . . 1.39 111.84 -171.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.97 -45.64 42.36 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.67 -2.059 . . . . 1.98 113.136 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.417 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -96.71 -0.31 48.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.496 -0.32 . . . . 2.25 111.296 -171.055 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.84 25.44 6.68 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.576 0.703 . . . . 1.15 110.347 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -117.45 19.62 13.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.047 -0.979 . . . . 1.95 109.372 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 65.8 48.15 1.94 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.748 -1.114 . . . . 1.64 110.118 -178.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -143.27 140.08 30.47 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.058 -0.974 . . . . 1.59 110.314 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 67' ' ' ASP . 32.1 mt -108.65 118.6 37.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.482 -0.326 . . . . 0.7 110.38 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' ' OE1' ' A' ' 78' ' ' GLU . 46.5 t -69.16 158.29 35.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.74 -0.837 . . . . 1.42 108.74 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . 31.9 p90 -53.22 -38.96 63.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.962 0.41 . . . . 3.07 111.341 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' ILE . 11.0 mt-10 -59.89 -31.78 70.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.569 -0.741 . . . . 2.03 111.045 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 75' ' ' SER . 3.5 mp0 -86.05 -37.71 18.6 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.241 0.46 . . . . 3.18 112.241 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -73.0 -25.98 61.17 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.414 -0.914 . . . . 3.12 109.924 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.78 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.8 tp -67.37 -41.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.398 -0.593 . . . . 2.0 109.398 174.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 82.4 mmm -57.58 -31.35 66.07 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.567 -0.288 . . . . 2.01 111.388 171.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 tm? -64.42 -36.76 85.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.769 -0.826 . . . . 1.38 108.769 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 23.7 mmt -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 0.91 109.98 174.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -71.16 -37.46 72.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.35 110.713 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 81' ' ' MET . 18.5 mtp180 -62.2 -40.18 95.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.43 0.633 . . . . 1.67 109.339 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 57.3 mt -70.53 -25.05 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.716 . . . . 1.68 110.129 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 55.3 m -69.69 -35.29 74.96 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.48 110.234 176.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.556 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 89.8 t90 -65.08 -36.76 85.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.732 -0.84 . . . . 3.49 108.732 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.05 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.57 -0.741 . . . . 1.18 110.597 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -79.57 -22.23 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.903 0.382 . . . . 1.74 110.464 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -68.62 -32.48 72.39 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.828 -1.175 . . . . 3.33 107.828 169.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.2 mm-40 -73.27 -26.21 61.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.83 174.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.552 ' HG3' ' OE2' ' A' ' 111' ' ' GLU . 5.9 tmmm? -81.11 -20.97 40.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 5.63 109.586 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.9 tpt -63.14 -32.85 74.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.387 -0.597 . . . . 5.55 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -102.44 71.03 1.19 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.573 -0.739 . . . . 5.1 109.05 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.515 ' HG2' ' H ' ' A' ' 98' ' ' ASP . 37.7 tt0 -51.79 124.78 13.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.048 -0.978 . . . . 5.97 110.644 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -59.09 -13.88 22.29 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 114.877 -1.056 . . . . 7.17 112.142 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.515 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 38.8 t70 -70.71 -22.22 62.47 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 120.79 0.329 . . . . 9.86 111.543 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -70.43 -25.54 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 8.93 110.83 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.27 80.05 0.11 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.88 -0.888 . . . . 6.76 110.88 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.38 137.12 20.49 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.818 2.346 . . . . 7.95 114.187 -173.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.45 -40.31 3.01 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 108.387 -1.885 . . . . 10.53 108.387 162.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -142.49 144.9 33.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.993 -1.484 . . . . 12.94 106.993 167.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.17 104.78 16.79 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.04 -0.664 . . . . 8.25 110.458 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -99.03 161.39 13.65 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.986 -1.006 . . . . 8.24 108.904 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -67.07 118.15 52.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.253 -0.647 . . . . 6.23 109.253 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 94.8 Cg_exo -48.05 139.23 20.89 Favored 'Trans proline' 0 C--O 1.21 -0.919 0 C-N-CA 123.874 3.049 . . . . 2.91 116.373 -171.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' HA3' ' HB2' ' A' ' 93' ' ' LYS . . . 51.31 -39.7 0.01 OUTLIER Glycine 0 C--N 1.3 -1.439 0 N-CA-C 120.832 3.093 . . . . 3.18 120.832 170.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 48' ' ' PHE . 4.2 mp -141.36 -58.56 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 121.386 2.593 . . . . 2.15 109.456 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.64 0.32 3.76 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 111.858 -2.428 . . . . 2.79 110.031 171.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' O ' ' HD2' ' A' ' 107' ' ' PRO . 39.1 mt-10 -52.96 152.77 3.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 124.816 1.247 . . . . 3.67 112.726 -163.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.96 111.28 1.79 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.496 -0.859 . . . . 2.84 111.64 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 p -118.76 157.24 50.58 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.173 -0.306 . . . . 3.88 110.173 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.244 0.794 0 C-N-CA 122.668 2.245 . . . . 5.2 111.911 178.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.016 0.436 . . . . 9.07 110.809 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -96.98 -82.6 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.808 -0.441 . . . . 6.86 109.808 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -71.24 -46.05 61.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.853 -1.165 . . . . 5.24 107.853 169.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.616 ' HE2' ' CD ' ' A' ' 46' ' ' GLN . 20.5 tptt -169.98 -47.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.853 -1.067 . . . . 2.34 110.611 173.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.704 ' HA ' ' OE1' ' B' ' 9' ' ' GLU . 94.4 mtp -22.97 116.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.858 1.348 . . . . 2.68 113.654 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -75.74 176.98 7.22 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.933 -1.485 . . . . 1.22 111.572 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . 0.482 HE21 ' CG2' ' A' ' 14' ' ' THR . 54.1 tt0 -58.41 -48.55 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 2.47 110.814 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.605 ' O ' HG13 ' B' ' 12' ' ' ILE . 3.2 tm? -62.96 -43.92 97.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.086 -0.961 . . . . 1.81 109.083 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.704 ' OE1' ' HA ' ' B' ' 5' ' ' MET . 7.4 tt0 -63.14 -50.22 71.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.229 -1.351 . . . . 2.28 111.644 -175.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.432 ' HD2' ' HE1' ' B' ' 5' ' ' MET . 18.1 mmm180 -59.88 -35.11 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 3.54 111.078 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.453 ' O ' HG13 ' B' ' 15' ' ' ILE . 11.5 m120 -67.16 -37.56 83.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.56 . . . . 1.7 110.81 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' ' 8' ' ' LEU . 28.6 mt -62.4 -49.53 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.33 109.973 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.53 -42.55 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 1.95 110.293 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.466 ' CG2' HE21 ' A' ' 7' ' ' GLN . 44.3 m -65.46 -41.67 93.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.785 -0.643 . . . . 0.44 110.746 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' A' ' 15' ' ' ILE . 8.8 mt -63.42 -47.19 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.42 110.652 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 12' ' ' ILE . 96.7 mt -56.4 -52.18 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.42 111.474 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -69.65 -26.77 64.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.713 0.264 . . . . 1.76 111.713 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.761 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 79.8 m -71.06 -51.7 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.468 -0.493 . . . . 0.8 110.402 176.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.419 ' HD2' HD11 ' B' ' 32' ' ' LEU . 38.2 m-85 -59.55 -42.16 91.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.913 0.387 . . . . 3.66 110.35 174.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.525 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 8.8 t-80 -70.46 -24.59 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.935 -0.575 . . . . 2.83 111.773 -176.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.9 pt20 -73.07 -32.4 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.147 -0.686 . . . . 1.45 109.147 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.428 ' HD2' ' O ' ' B' ' 18' ' ' THR . 92.2 m-85 -79.38 -33.21 43.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 1.4 110.992 174.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' B' ' 29' ' ' PRO . 84.9 p -66.74 -41.46 87.79 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.664 0.745 . . . . 1.04 109.241 177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' B' ' 28' ' ' HIS . 4.2 p -75.81 -3.48 5.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.066 -0.97 . . . . 0.69 112.192 -177.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 27.6 mtpp -58.91 -29.69 67.25 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.776 0.658 . . . . 2.17 112.776 -176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.499 ' HB3' ' HG2' ' B' ' 29' ' ' PRO . 25.1 tp -89.61 12.75 15.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 2.04 111.061 -176.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.73 -96.68 0.23 Allowed Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.365 -0.694 . . . . 1.43 111.365 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.68 ' N ' ' HD3' ' B' ' 29' ' ' PRO . 77.2 m-70 -131.27 24.77 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 113.309 0.855 . . . . 3.7 113.309 171.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' N ' ' B' ' 28' ' ' HIS . 86.4 Cg_exo -56.46 166.15 3.78 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.484 2.122 . . . . 2.64 115.447 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.41 8.94 10.84 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 112.547 -2.115 . . . . 2.56 108.284 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -127.79 149.4 50.28 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.15 -1.386 . . . . 1.4 109.788 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.419 HD11 ' HD2' ' B' ' 19' ' ' PHE . 76.1 mt -91.6 118.54 30.71 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.346 -0.983 . . . . 0.73 108.346 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.527 ' HB2' ' OE2' ' B' ' 36' ' ' GLU . 1.7 m-20 -85.37 168.73 14.37 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.501 -0.925 . . . . 2.37 108.501 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 29.8 tt0 -51.0 -40.25 57.69 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.528 0.566 . . . . 1.42 112.528 -172.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.51 38.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.813 -0.708 . . . . 0.44 111.934 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.527 ' OE2' ' HB2' ' B' ' 33' ' ' ASN . 5.0 mp0 -66.01 -41.09 91.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.131 -0.534 . . . . 2.01 110.682 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.26 -47.26 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 1.47 110.944 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 94.3 mttt -54.08 -48.19 70.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 1.39 110.597 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 36.9 tt0 -64.69 -46.73 81.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.845 -0.616 . . . . 1.75 110.818 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 1.43 109.921 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.557 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 49.9 t -55.86 -37.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.4 110.93 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 79.7 mtt180 -70.42 -29.98 66.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 113.338 0.866 . . . . 3.25 113.338 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.77 -42.05 4.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.471 1.286 . . . . 2.33 114.471 -173.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 2.0 p30 -106.75 -25.42 11.74 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.538 1.063 . . . . 1.87 113.051 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 96.1 mt -98.13 1.8 47.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 0.44 110.384 174.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.592 ' CD ' ' HE2' ' A' ' 4' ' ' LYS . 15.0 pt20 -53.15 -21.28 4.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 113.305 0.854 . . . . 1.46 113.305 -173.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 9' ' ' GLU . 26.1 t-20 -95.44 -39.19 10.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 2.14 109.913 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.63 -35.75 65.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.449 0.643 . . . . 1.92 110.544 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 86' ' ' LEU . 87.7 mt -106.9 26.61 9.87 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.426 -0.806 . . . . 0.61 109.578 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 39.1 ttmt -46.05 -59.69 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.705 -1.134 . . . . 2.15 112.848 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -69.04 -30.73 69.15 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.13 -0.628 . . . . 1.25 110.271 -177.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HG3' HG11 ' B' ' 58' ' ' VAL . 16.3 mp0 -65.34 -37.84 88.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 2.13 111.535 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' B' ' 46' ' ' GLN . 21.0 p30 -72.5 -14.93 61.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.965 0.412 . . . . 1.7 111.319 -170.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.35 -8.74 59.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.027 -0.533 . . . . 3.34 110.523 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -122.87 146.01 47.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.502 -0.555 . . . . 1.92 109.502 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 47.6 mt-10 -88.27 -39.9 14.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.549 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.426 ' HA ' ' OE1' ' B' ' 60' ' ' GLU . 27.7 mtpp -63.6 -32.55 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 2.5 111.389 -177.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.476 HG11 ' HG3' ' B' ' 52' ' ' GLU . 43.9 t -65.37 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.957 -0.565 . . . . 0.66 110.357 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.481 HD12 HG11 ' B' ' 41' ' ' VAL . 19.6 mm -69.36 -34.91 64.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.55 -0.537 . . . . 1.05 109.55 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 48.4 mt-10 -59.78 -36.29 76.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.268 -0.424 . . . . 1.85 110.974 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -68.31 -48.92 63.64 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.618 -0.264 . . . . 1.87 110.687 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.13 -33.83 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.982 0.896 . . . . 1.18 109.545 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 11.2 tpt -60.3 -39.71 87.9 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.241 -1.8 . . . . 1.05 111.954 176.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.563 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 8.4 tm-20 -115.38 -27.79 7.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 114.285 -2.966 . . . . 2.36 109.646 -169.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.5 -34.11 64.32 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.004 -0.278 . . . . 1.93 110.495 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.66 -11.41 37.08 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.529 0.566 . . . . 1.26 112.529 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.563 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 16.0 t0 -63.92 94.63 0.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.48 1.133 . . . . 1.4 111.799 -171.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.1 m -48.83 -45.69 40.97 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 112.819 -1.991 . . . . 1.98 113.126 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.405 ' N ' HD22 ' B' ' 69' ' ' ASN . 0.9 OUTLIER -96.54 -0.29 49.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.579 -0.282 . . . . 2.25 111.265 -171.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.88 25.49 6.78 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.711 0.632 . . . . 1.14 110.423 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.42 19.93 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 1.95 109.315 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.491 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 65.65 47.93 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.034 . . . . 1.64 110.168 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -143.14 140.2 30.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.962 -1.017 . . . . 1.59 110.296 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 67' ' ' ASP . 32.3 mt -108.84 118.68 37.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.447 -0.342 . . . . 0.7 110.294 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.605 ' HB3' ' OE1' ' B' ' 78' ' ' GLU . 48.2 t -69.32 158.1 35.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.696 -0.853 . . . . 1.41 108.696 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.797 ' HA ' ' CE1' ' B' ' 79' ' ' PHE . 31.9 p90 -52.96 -39.2 62.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.019 0.438 . . . . 3.06 111.322 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.603 ' O ' HG22 ' B' ' 80' ' ' ILE . 11.5 mt-10 -59.7 -31.81 69.93 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 2.04 111.164 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' B' ' 75' ' ' SER . 3.8 mp0 -85.97 -37.71 18.72 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 112.242 0.46 . . . . 3.18 112.242 -175.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.797 ' CE1' ' HA ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -73.02 -25.96 61.14 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.35 -0.94 . . . . 3.12 110.003 176.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.8 tp -67.38 -41.21 86.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.378 -0.601 . . . . 2.0 109.378 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 82.5 mmm -57.5 -31.36 65.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.489 -0.323 . . . . 2.01 111.422 171.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.7 tm? -64.44 -36.83 85.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.856 -0.794 . . . . 1.38 108.856 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.503 ' HE2' ' HA ' ' B' ' 83' ' ' MET . 23.8 mmt -62.21 -34.55 76.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.91 110.027 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.78 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -71.07 -37.51 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.35 110.739 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' B' ' 81' ' ' MET . 18.6 mtp180 -62.16 -40.26 95.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.289 -0.634 . . . . 1.67 109.289 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 82' ' ' LEU . 57.1 mt -70.41 -25.11 63.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.601 -0.727 . . . . 1.68 110.155 174.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 54.4 m -69.73 -35.19 74.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.48 110.173 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.559 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 89.7 t90 -65.08 -36.89 85.76 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.78 -0.822 . . . . 3.49 108.78 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.83 -25.18 62.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.67 -0.695 . . . . 1.18 110.674 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -79.51 -22.06 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 1.74 110.49 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.95 -32.25 71.7 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.021 -1.103 . . . . 3.33 108.021 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.3 mm-40 -73.31 -26.42 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.719 -1.128 . . . . 3.29 109.856 174.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.555 ' HG3' ' OE2' ' B' ' 111' ' ' GLU . 5.9 tmmm? -81.03 -21.07 40.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.791 -0.64 . . . . 5.62 109.639 176.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 17.0 tpt -63.09 -32.64 74.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 5.55 109.444 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -102.66 71.16 1.16 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.51 -0.768 . . . . 5.11 109.042 171.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' B' ' 98' ' ' ASP . 38.1 tt0 -51.95 124.78 13.54 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.99 -1.005 . . . . 5.97 110.581 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -59.08 -13.96 22.61 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 114.899 -1.046 . . . . 7.19 112.087 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.517 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 38.5 t70 -70.71 -22.32 62.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 120.881 0.372 . . . . 9.86 111.504 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.33 -25.57 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 8.93 110.789 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.06 80.05 0.11 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.812 -0.915 . . . . 6.77 110.812 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.35 137.06 20.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.701 2.267 . . . . 7.97 114.138 -173.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.54 -40.38 2.97 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 108.383 -1.887 . . . . 10.54 108.383 163.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -142.48 144.99 33.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.898 -1.519 . . . . 12.94 106.898 167.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.2 105.07 17.07 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.035 -0.666 . . . . 8.26 110.404 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -99.2 161.51 13.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 8.24 108.979 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.15 118.32 54.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 6.24 109.213 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' B' ' 111' ' ' GLU . 93.9 Cg_exo -48.32 139.29 22.32 Favored 'Trans proline' 0 C--O 1.21 -0.908 0 C-N-CA 123.864 3.043 . . . . 2.91 116.328 -171.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' B' ' 93' ' ' LYS . . . 51.06 -39.56 0.01 OUTLIER Glycine 0 C--N 1.301 -1.388 0 N-CA-C 120.864 3.106 . . . . 3.17 120.864 170.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.35 -58.66 0.49 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 121.506 2.653 . . . . 2.15 109.39 155.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.54 0.41 3.82 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 111.805 -2.452 . . . . 2.79 110.095 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' B' ' 107' ' ' PRO . 37.9 mt-10 -53.07 152.84 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.863 1.265 . . . . 3.68 112.703 -163.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.98 111.2 1.77 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.561 -0.828 . . . . 2.85 111.652 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 32.2 p -118.81 157.03 51.22 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 110.152 -0.314 . . . . 3.89 110.152 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 122.662 2.241 . . . . 5.21 111.891 178.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 121.151 0.5 . . . . 9.06 110.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -96.36 -67.08 0.87 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 6.86 109.945 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.575 ' HA ' ' OD1' ' B' ' 47' ' ' ASN . 31.3 m 54.53 78.91 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.755 -0.657 . . . . 5.23 111.879 175.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -141.08 106.15 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.34 110.774 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.509 ' HB2' ' HB3' ' B' ' 111' ' ' GLU . 3.7 ttt -70.7 119.69 15.22 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.367 -0.605 . . . . 2.68 109.367 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' B' ' 44' ' ' ASP . 10.2 t -76.71 174.01 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.207 -0.294 . . . . 1.22 110.207 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.19 -47.28 83.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.173 0.511 . . . . 2.47 110.676 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.838 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . 0.7 OUTLIER -69.33 -38.67 78.28 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.289 -0.869 . . . . 1.81 109.252 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.598 ' HG3' ' HB2' ' B' ' 48' ' ' PHE . 25.5 tt0 -59.93 -48.13 82.97 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.737 -0.665 . . . . 2.29 110.34 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -68.77 -35.33 76.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.668 -0.696 . . . . 3.54 111.204 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.838 ' ND2' ' HA ' ' A' ' 8' ' ' LEU . 14.0 p30 -67.25 -35.7 80.08 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.829 -0.349 . . . . 1.71 110.177 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 8' ' ' LEU . 86.5 mt -64.94 -46.12 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 116.401 -0.363 . . . . 0.32 110.11 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.97 -33.59 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 1.95 111.241 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.8 m -57.92 -40.29 80.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.644 0.735 . . . . 0.44 109.278 174.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 ' OD1' ' B' ' 11' ' ' ASN . 9.5 mt -64.72 -52.07 59.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.044 -0.98 . . . . 0.42 110.799 174.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' B' ' 87' ' ' THR . 79.5 mt -58.65 -41.32 81.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 115.371 -0.831 . . . . 0.42 111.267 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.77 -40.77 98.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.871 0.367 . . . . 1.76 110.959 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.597 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.8 m -70.63 -50.3 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.8 110.526 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.531 ' CE1' ' HE2' ' A' ' 79' ' ' PHE . 11.4 m-30 -55.36 -41.61 72.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.558 0.694 . . . . 3.66 109.338 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 18.5 t-80 -55.87 -41.63 74.67 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.679 -1.146 . . . . 2.82 112.34 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 18' ' ' THR . 22.4 pt20 -71.19 -32.48 68.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.083 -0.647 . . . . 1.45 110.645 -172.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 40' ' ' LEU . 90.9 m-85 -78.86 -32.87 46.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.642 -0.423 . . . . 1.4 110.889 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.636 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 16.6 p -79.63 -34.93 40.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.143 0.497 . . . . 1.04 111.371 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.57 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 6.9 p -68.27 -3.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.756 -0.656 . . . . 0.69 111.265 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.91 -30.81 71.14 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.647 -0.501 . . . . 2.17 109.647 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 33' ' ' ASN . 75.6 mt -89.43 13.62 13.26 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.064 0.764 . . . . 2.04 113.064 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -118.72 5.66 Favored Glycine 0 N--CA 1.46 0.247 0 C-N-CA 120.5 -0.857 . . . . 1.43 111.568 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -58.05 106.02 0.63 Allowed Pre-proline 0 N--CA 1.465 0.307 0 N-CA-C 107.037 -1.468 . . . . 3.7 107.037 166.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 Cg_endo -77.99 48.29 2.61 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 CA-C-O 117.123 -1.282 . . . . 2.64 114.992 -152.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -71.87 4.27 3.5 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 122.749 2.522 . . . . 2.56 113.498 -153.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -154.98 158.16 38.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.952 0.406 . . . . 1.4 111.88 -170.042 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.65 119.77 40.36 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.013 -1.106 . . . . 0.73 108.013 159.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . 33.6 m-20 -79.64 170.76 16.08 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.577 -0.849 . . . . 2.37 110.239 -177.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' N ' ' HE3' ' A' ' 63' ' ' MET . 50.3 tt0 -51.42 -40.56 59.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 1.42 111.568 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.81 -42.09 39.73 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.237 -0.745 . . . . 0.44 111.237 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' OE1' ' HB2' ' A' ' 33' ' ' ASN . 3.8 mp0 -64.54 -39.38 93.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.112 -0.544 . . . . 2.0 110.289 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 71.8 t80 -57.78 -53.36 59.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.47 110.623 175.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.06 97.8 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.821 -0.627 . . . . 1.38 110.669 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' OE2' ' HD3' ' A' ' 42' ' ' ARG . 5.9 tp10 -60.82 -45.47 94.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.264 -0.425 . . . . 1.74 110.936 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 22' ' ' TYR . 3.0 tm? -58.81 -53.76 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.43 -0.581 . . . . 1.43 109.43 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.614 HG13 HD12 ' A' ' 49' ' ' LEU . 76.8 t -58.66 -38.48 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.677 -0.692 . . . . 0.4 110.91 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 31.1 ttt180 -65.21 -32.69 74.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.143 -0.935 . . . . 3.25 112.919 -173.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HZ2' ' HG3' ' A' ' 39' ' ' GLU . 10.9 mtmm -123.9 -27.04 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.968 -0.693 . . . . 2.33 112.707 -171.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' B' ' 6' ' ' SER . 5.0 m-20 -99.43 -34.26 10.35 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.437 0.637 . . . . 1.88 110.043 -174.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 84.9 mt -100.93 5.8 43.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.962 -1.017 . . . . 0.44 110.796 174.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 10.6 pt20 -49.8 -23.87 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.613 ' ND2' ' HB2' ' A' ' 111' ' ' GLU . 6.5 t30 -103.29 -38.02 7.41 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.411 -0.515 . . . . 2.14 110.492 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.633 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 4.4 t80 -65.49 -36.16 83.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.914 0.864 . . . . 1.91 109.323 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 41' ' ' VAL . 39.7 mt -110.93 23.75 13.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.888 -1.051 . . . . 0.61 109.781 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' A' ' 46' ' ' GLN . 2.0 tpmt? -45.2 -56.27 4.98 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.901 -0.591 . . . . 2.16 111.712 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HD2' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.63 -33.2 73.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.004 -0.544 . . . . 1.25 111.633 -178.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.624 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 16.2 mt-10 -75.72 -32.76 60.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.413 -0.358 . . . . 2.13 110.969 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.599 ' ND2' ' HA ' ' A' ' 46' ' ' GLN . 5.8 m-20 -66.61 -18.62 65.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.7 111.156 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.36 -1.55 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.348 0.594 . . . . 3.34 110.33 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -122.14 147.08 46.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 1.92 109.581 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.9 tp10 -87.42 -51.6 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.08 0.467 . . . . 2.46 110.098 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.25 -30.16 71.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.422 -0.808 . . . . 2.5 112.597 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 52' ' ' GLU . 38.6 t -64.17 -42.66 96.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.66 110.431 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 HG11 ' A' ' 41' ' ' VAL . 20.5 mm -70.56 -35.63 62.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.126 -0.488 . . . . 1.05 109.905 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 10.4 mm-40 -61.03 -37.83 83.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.875 -0.602 . . . . 1.86 109.981 176.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -67.05 -49.09 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.283 -0.871 . . . . 1.87 110.646 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 48.6 mt -63.55 -34.5 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.246 0.546 . . . . 1.18 110.143 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.627 ' HE1' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -58.76 -52.45 65.66 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 114.742 -1.117 . . . . 1.05 110.764 177.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.52 -29.1 10.89 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 114.947 -2.701 . . . . 2.37 110.003 -165.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.0 -38.23 72.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.483 -0.487 . . . . 1.93 110.268 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 10.7 mp -72.23 -34.41 68.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.599 0.238 . . . . 1.26 111.571 174.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -65.85 92.29 0.16 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.686 0.755 . . . . 1.39 110.581 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.9 m -60.45 -25.22 65.84 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.64 -1.163 . . . . 1.98 111.564 175.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.86 -4.14 56.81 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.749 -0.38 . . . . 2.25 110.188 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.69 34.89 5.51 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.602 0.964 . . . . 1.15 113.602 169.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -116.53 14.82 15.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.382 0.61 . . . . 1.95 110.414 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.802 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 65.88 37.73 5.37 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.117 -0.947 . . . . 1.64 109.763 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 46.8 mt-30 -144.16 140.41 29.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.903 -1.498 . . . . 1.59 108.373 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 63.2 mt -117.69 116.01 26.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.479 -0.488 . . . . 0.7 110.92 -174.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -69.17 151.64 46.1 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.449 -1.685 . . . . 1.42 106.449 171.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.743 ' O ' HG23 ' A' ' 80' ' ' ILE . 23.0 p90 -48.9 -40.79 31.24 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.81 -0.356 . . . . 3.07 111.671 -175.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp0 -58.95 -36.36 74.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 2.03 111.621 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.67 -38.74 80.6 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.925 0.869 . . . . 3.18 109.66 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 24.0 t80 -76.76 -40.98 46.59 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.498 -0.774 . . . . 3.12 111.589 -173.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -66.55 -30.82 51.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 119.55 -0.86 . . . . 2.0 109.689 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.596 ' H ' HD13 ' A' ' 80' ' ' ILE . 80.6 mtp -54.07 -36.99 63.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.982 -0.554 . . . . 2.01 111.431 167.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 45.2 tp -58.88 -38.92 79.92 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.108 0.48 . . . . 1.38 109.933 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -62.7 -20.95 65.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.91 111.073 176.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.741 ' HB2' HD12 ' B' ' 80' ' ' ILE . . . -75.99 -37.72 58.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.26 0.552 . . . . 0.35 110.152 174.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 85' ' ' ARG . 10.7 mtp180 -62.76 -38.72 91.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.29 -0.868 . . . . 1.67 108.771 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD22 ' CD1' ' A' ' 48' ' ' PHE . 35.5 mt -70.74 -30.46 66.99 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.869 -1.06 . . . . 1.68 109.878 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' B' ' 16' ' ' ILE . 38.0 m -64.21 -38.15 90.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.483 -0.487 . . . . 0.48 109.866 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' O ' ' HB3' ' A' ' 91' ' ' HIS . 84.7 t90 -66.23 -36.07 82.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 3.49 110.678 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -47.57 65.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.826 0.346 . . . . 1.18 111.573 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' HD13 ' B' ' 16' ' ' ILE . 20.6 t -72.74 -23.85 60.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.972 0.415 . . . . 1.74 110.091 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 88' ' ' TRP . 10.9 t60 -58.11 -37.58 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.48 -0.563 . . . . 3.33 109.48 172.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 27.7 mm-40 -83.01 -25.23 32.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.206 -0.906 . . . . 3.3 110.793 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' A' ' 105' ' ' HIS . 16.8 ttpt -81.94 -20.52 38.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.274 0.559 . . . . 5.63 110.328 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 35.0 ttm -109.31 7.57 25.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.956 -0.565 . . . . 5.55 111.426 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -104.87 110.52 22.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.865 0.364 . . . . 5.1 111.51 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.98 160.02 21.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.926 -1.509 . . . . 5.97 106.926 163.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 100' ' ' GLY . . . -56.15 -57.72 17.76 Favored Glycine 0 CA--C 1.507 -0.433 0 C-N-CA 119.382 -1.389 . . . . 7.17 112.409 -155.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -126.3 -43.83 1.76 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 118.815 1.307 . . . . 9.86 110.854 144.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.38 3.57 9.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 114.257 -1.338 . . . . 8.93 109.158 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -179.81 137.44 3.07 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 114.558 -1.201 . . . . 6.76 110.275 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.54 133.86 38.83 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 121.747 1.631 . . . . 7.95 113.939 -170.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.05 -9.78 23.62 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 108.1 -2.0 . . . . 10.53 108.1 165.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -140.43 131.04 25.55 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 105.775 -1.935 . . . . 12.94 105.775 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -97.1 158.66 15.33 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 120.621 -0.432 . . . . 8.25 110.351 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.525 ' HB2' ' HG2' ' A' ' 93' ' ' LYS . 7.7 p-80 -97.64 158.95 15.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 8.24 110.394 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 107' ' ' PRO . 56.1 tptt -129.66 111.52 17.58 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.041 -0.527 . . . . 6.23 112.356 -170.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' A' ' 111' ' ' GLU . 90.4 Cg_exo -50.48 155.78 4.8 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.621 2.214 . . . . 2.91 110.558 161.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.523 ' H ' ' HA ' ' A' ' 111' ' ' GLU . . . 92.56 -6.62 77.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.873 -0.68 . . . . 3.18 112.116 -175.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.633 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 5.6 tp -114.83 -40.77 3.47 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.095 -1.446 . . . . 2.15 107.095 160.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.482 ' HA3' ' HD3' ' A' ' 93' ' ' LYS . . . -123.83 42.51 1.56 Allowed Glycine 0 C--N 1.304 -1.225 0 CA-C-N 112.408 -2.178 . . . . 2.79 110.238 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.613 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -45.07 120.68 2.49 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.989 1.376 . . . . 3.67 111.74 -151.276 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 107' ' ' PRO . . . -136.29 172.47 22.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 112.153 -2.294 . . . . 2.84 112.899 -156.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.1 m -110.14 114.91 55.4 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.621 -0.789 . . . . 3.88 110.551 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.811 2.341 . . . . 5.2 111.738 176.535 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.052 0.453 . . . . 9.07 110.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.4 p -97.19 -66.15 0.92 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.915 -0.584 . . . . 6.86 110.042 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.571 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 38.1 m 53.8 79.22 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 5.24 111.839 175.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -141.15 106.15 4.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 2.34 110.908 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.521 ' HB2' ' HB3' ' A' ' 111' ' ' GLU . 3.7 ttt -70.78 119.63 15.2 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.415 -0.587 . . . . 2.68 109.415 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 44' ' ' ASP . 13.8 t -76.49 174.0 10.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.259 -0.274 . . . . 1.22 110.259 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -58.18 -47.29 83.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.198 0.523 . . . . 2.47 110.592 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.835 ' HA ' ' ND2' ' B' ' 11' ' ' ASN . 0.7 OUTLIER -69.52 -38.72 77.67 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.194 -0.912 . . . . 1.81 109.19 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.603 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 25.3 tt0 -59.72 -48.21 82.58 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.751 -0.659 . . . . 2.28 110.449 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.71 -35.49 77.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.77 . . . . 3.54 111.234 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.835 ' ND2' ' HA ' ' B' ' 8' ' ' LEU . 13.9 p30 -67.01 -35.81 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.115 -0.328 . . . . 1.7 110.115 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 8' ' ' LEU . 86.4 mt -64.87 -46.25 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.396 -0.365 . . . . 0.33 110.122 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.0 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 1.95 111.19 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.2 m -57.95 -40.23 80.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.675 0.75 . . . . 0.44 109.298 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.56 HG12 ' OD1' ' A' ' 11' ' ' ASN . 9.5 mt -64.88 -52.02 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.962 -1.017 . . . . 0.42 110.79 175.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 87' ' ' THR . 79.3 mt -58.73 -41.17 81.7 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 115.355 -0.838 . . . . 0.42 111.321 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.62 -41.04 98.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 1.76 110.939 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 8' ' ' LEU . 21.9 m -70.35 -50.3 40.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.258 -0.428 . . . . 0.8 110.578 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HE2' ' B' ' 79' ' ' PHE . 11.5 m-30 -55.45 -41.5 72.98 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.539 0.685 . . . . 3.66 109.383 176.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.439 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 18.0 t-80 -55.92 -41.63 74.85 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.622 -1.172 . . . . 2.83 112.336 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 18' ' ' THR . 22.6 pt20 -71.26 -32.43 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.204 -0.598 . . . . 1.45 110.634 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.516 ' CE1' HD23 ' B' ' 40' ' ' LEU . 90.8 m-85 -78.87 -32.86 46.1 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.68 -0.408 . . . . 1.4 110.987 175.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.635 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 17.1 p -79.76 -34.63 39.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.11 0.481 . . . . 1.04 111.373 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 7.1 p -68.56 -3.97 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.749 -0.659 . . . . 0.69 111.292 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.06 -30.68 71.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.684 -0.488 . . . . 2.17 109.684 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.418 HD11 HD21 ' B' ' 33' ' ' ASN . 75.2 mt -89.41 13.35 13.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.986 0.736 . . . . 2.04 112.986 174.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.09 -118.64 5.69 Favored Glycine 0 N--CA 1.461 0.349 0 C-N-CA 120.482 -0.866 . . . . 1.43 111.59 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -58.21 105.79 0.6 Allowed Pre-proline 0 N--CA 1.464 0.254 0 N-CA-C 106.985 -1.487 . . . . 3.7 106.985 166.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.635 ' O ' ' HB2' ' B' ' 23' ' ' SER . 41.2 Cg_endo -77.86 48.02 2.51 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-O 117.131 -1.279 . . . . 2.64 114.981 -152.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.06 4.9 3.06 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 122.718 2.508 . . . . 2.56 113.479 -153.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 74' ' ' LEU . 0.9 OUTLIER -155.26 158.17 38.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.034 0.445 . . . . 1.4 111.922 -170.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -107.7 119.7 40.17 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.038 -1.097 . . . . 0.73 108.038 159.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' OE1' ' B' ' 36' ' ' GLU . 34.2 m-20 -79.64 170.73 16.12 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.486 -0.885 . . . . 2.37 110.247 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.408 ' N ' ' HE3' ' B' ' 63' ' ' MET . 50.0 tt0 -51.26 -40.76 59.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.895 0.379 . . . . 1.42 111.58 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.67 40.01 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.184 -0.766 . . . . 0.44 111.184 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' B' ' 33' ' ' ASN . 3.4 mp0 -64.82 -39.29 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.153 -0.524 . . . . 2.01 110.289 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.43 ' CD2' ' HE1' ' B' ' 79' ' ' PHE . 71.2 t80 -57.95 -53.21 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 1.47 110.634 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.07 -42.04 97.75 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.892 -0.595 . . . . 1.39 110.793 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' HZ2' ' B' ' 43' ' ' LYS . 5.9 tp10 -60.97 -45.44 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 1.75 110.98 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.516 HD23 ' CE1' ' B' ' 22' ' ' TYR . 3.0 tm? -58.73 -53.75 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.506 -0.553 . . . . 1.43 109.506 178.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.628 HG13 HD12 ' B' ' 49' ' ' LEU . 77.1 t -58.69 -38.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.4 110.86 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 31.3 ttt180 -65.39 -32.53 74.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.154 -0.93 . . . . 3.25 112.932 -173.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.517 ' HZ2' ' HG3' ' B' ' 39' ' ' GLU . 10.9 mtmm -124.0 -26.97 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.99 -0.684 . . . . 2.33 112.844 -171.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 6' ' ' SER . 5.2 m-20 -99.38 -34.38 10.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.39 0.614 . . . . 1.87 110.149 -174.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 85.1 mt -100.92 5.8 43.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.44 110.786 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.714 ' O ' ' HE3' ' B' ' 50' ' ' LYS . 10.5 pt20 -49.81 -24.02 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.555 0.946 . . . . 1.46 113.555 -168.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' HB2' ' B' ' 111' ' ' GLU . 6.4 t30 -103.41 -37.45 7.61 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.365 -0.534 . . . . 2.14 110.498 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.618 ' HA ' ' O ' ' B' ' 109' ' ' LEU . 4.6 t80 -65.85 -36.59 83.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.851 0.834 . . . . 1.92 109.168 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.628 HD12 HG13 ' B' ' 41' ' ' VAL . 40.3 mt -110.61 23.87 13.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.865 -1.061 . . . . 0.61 109.886 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.714 ' HE3' ' O ' ' B' ' 46' ' ' GLN . 2.0 tpmt? -45.09 -56.37 4.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.873 -0.603 . . . . 2.15 111.679 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.63 ' HD2' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -61.77 -32.91 73.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 1.25 111.707 -178.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.63 ' H ' ' HD2' ' B' ' 51' ' ' LYS . 15.8 mt-10 -75.99 -32.63 59.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.916 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.59 ' ND2' ' HA ' ' B' ' 46' ' ' GLN . 5.9 m-20 -66.47 -19.23 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 1.7 110.965 -178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.04 -1.12 54.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.246 0.546 . . . . 3.34 110.373 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.46 147.2 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.979 -0.555 . . . . 1.92 109.577 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 tp10 -87.5 -51.57 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.182 0.515 . . . . 2.46 110.188 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.29 -30.35 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 2.5 112.541 -171.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' B' ' 52' ' ' GLU . 38.6 t -64.02 -42.69 96.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.207 -0.451 . . . . 0.66 110.46 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.457 HD12 HG11 ' B' ' 41' ' ' VAL . 20.6 mm -70.75 -35.65 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.05 109.918 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 10.1 mm-40 -60.86 -37.79 83.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 1.85 110.052 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -66.98 -49.26 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 1.87 110.533 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 48.1 mt -63.56 -34.33 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 1.18 110.197 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.538 ' HE1' ' HG ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -58.9 -52.57 65.16 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.785 -1.098 . . . . 1.05 110.781 177.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -104.38 -29.08 10.97 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 114.92 -2.712 . . . . 2.36 109.951 -165.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 -38.32 73.01 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.523 -0.471 . . . . 1.93 110.402 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 62' ' ' ILE . 10.6 mp -72.33 -34.24 67.9 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.583 0.23 . . . . 1.26 111.537 174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.79 92.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.725 0.774 . . . . 1.4 110.456 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 m -60.98 -25.07 66.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.6 -1.182 . . . . 1.98 111.531 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -91.05 -4.22 56.53 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.802 -0.359 . . . . 2.25 110.221 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 48.59 35.16 5.71 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.612 0.967 . . . . 1.14 113.612 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -116.71 14.7 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.408 0.623 . . . . 1.95 110.258 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.798 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.1 OUTLIER 65.91 37.84 5.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.156 -0.929 . . . . 1.64 109.783 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 47.1 mt-30 -144.07 140.49 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.961 -1.472 . . . . 1.59 108.325 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.538 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 63.3 mt -117.66 116.05 26.29 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.524 -0.471 . . . . 0.7 110.903 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 10.1 t -69.15 151.68 46.07 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.576 -1.639 . . . . 1.41 106.576 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.738 ' O ' HG23 ' B' ' 80' ' ' ILE . 22.8 p90 -48.78 -40.89 30.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.029 0.377 . . . . 3.06 111.648 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' B' ' 80' ' ' ILE . 4.1 mp0 -58.95 -36.27 74.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.916 0.388 . . . . 2.04 111.585 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.87 -38.84 79.99 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.888 0.851 . . . . 3.18 109.52 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 24.0 t80 -76.72 -41.1 46.48 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.569 -0.741 . . . . 3.12 111.607 -173.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -66.29 -30.91 51.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 119.592 -0.843 . . . . 2.0 109.701 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.603 ' H ' HD13 ' B' ' 80' ' ' ILE . 81.9 mtp -54.12 -36.93 63.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 2.01 111.577 167.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 45.0 tp -58.83 -38.98 79.9 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.38 109.952 171.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.581 ' HB2' ' O ' ' B' ' 80' ' ' ILE . 0.0 OUTLIER -62.67 -21.02 65.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.91 111.015 176.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 80' ' ' ILE . . . -75.8 -37.84 58.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.364 0.602 . . . . 0.35 110.06 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 82' ' ' LEU . 10.9 mtp180 -62.74 -38.78 91.87 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.31 -0.859 . . . . 1.67 108.79 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 48' ' ' PHE . 35.2 mt -70.67 -30.51 67.12 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.841 -1.072 . . . . 1.68 110.019 174.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 37.8 m -64.14 -38.15 90.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.445 -0.502 . . . . 0.48 109.843 175.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.522 ' O ' ' HB3' ' B' ' 91' ' ' HIS . 84.2 t90 -66.28 -36.13 82.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 3.49 110.687 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.57 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.882 -0.327 . . . . 1.18 111.531 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 16' ' ' ILE . 19.0 t -72.71 -23.81 60.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.946 0.403 . . . . 1.74 110.181 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' B' ' 88' ' ' TRP . 11.0 t60 -58.15 -37.78 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.432 -0.581 . . . . 3.33 109.432 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 26.4 mm-40 -82.86 -25.36 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.099 -0.955 . . . . 3.29 110.72 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' B' ' 105' ' ' HIS . 16.8 ttpt -81.87 -20.33 39.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 5.62 110.397 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 35.0 ttm -109.37 7.2 24.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.969 -0.559 . . . . 5.55 111.483 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -104.64 110.63 23.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 5.11 111.426 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.08 160.11 21.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.918 -1.512 . . . . 5.97 106.918 163.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' B' ' 100' ' ' GLY . . . -56.21 -57.47 19.04 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 119.324 -1.417 . . . . 7.19 112.539 -155.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -126.34 -43.76 1.75 Allowed 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 118.738 1.269 . . . . 9.86 110.889 144.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.47 3.43 9.05 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.135 -1.393 . . . . 8.93 109.129 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' B' ' 97' ' ' GLY . . . -179.71 137.26 3.02 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.599 -1.182 . . . . 6.77 110.491 -174.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.44 133.76 38.69 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 121.849 1.699 . . . . 7.97 113.734 -170.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.15 -9.75 23.5 Favored Glycine 0 CA--C 1.505 -0.567 0 N-CA-C 108.044 -2.022 . . . . 10.54 108.044 165.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -140.29 131.09 25.87 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.869 -1.9 . . . . 12.94 105.869 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -96.89 158.83 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.602 -0.439 . . . . 8.26 110.407 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . 0.522 ' HB2' ' HG2' ' B' ' 93' ' ' LYS . 7.5 p-80 -97.67 158.72 15.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.006 -0.543 . . . . 8.24 110.493 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' B' ' 107' ' ' PRO . 56.1 tptt -129.45 111.76 17.89 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-O 121.167 0.508 . . . . 6.24 112.295 -170.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.46 ' HB3' ' OE1' ' B' ' 111' ' ' GLU . 90.2 Cg_exo -50.72 155.73 5.22 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.719 2.279 . . . . 2.91 110.636 161.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.526 ' H ' ' HA ' ' B' ' 111' ' ' GLU . . . 92.51 -6.55 77.76 Favored Glycine 0 C--O 1.226 -0.347 0 C-N-CA 120.914 -0.66 . . . . 3.17 112.112 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.618 ' O ' ' HA ' ' B' ' 48' ' ' PHE . 5.8 tp -114.81 -40.8 3.47 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.217 -1.401 . . . . 2.15 107.217 160.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.495 ' HA3' ' HD3' ' B' ' 93' ' ' LYS . . . -123.96 42.49 1.56 Allowed Glycine 0 C--N 1.303 -1.26 0 CA-C-N 112.323 -2.217 . . . . 2.79 110.081 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.614 ' HB2' ' ND2' ' B' ' 47' ' ' ASN . 0.4 OUTLIER -44.96 121.02 2.58 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 122.986 1.374 . . . . 3.68 111.713 -151.309 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . 0.42 ' H ' ' HB3' ' B' ' 107' ' ' PRO . . . -136.53 172.72 22.37 Favored Glycine 0 N--CA 1.432 -1.605 0 CA-C-N 112.174 -2.285 . . . . 2.85 112.968 -156.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 26.6 m -110.14 115.42 54.74 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 114.47 -0.865 . . . . 3.89 110.358 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.963 2.442 . . . . 5.21 111.683 175.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.648 0.261 . . . . 9.06 110.624 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 t -159.23 129.52 5.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.475 -0.329 . . . . 6.86 110.371 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p 48.26 69.51 0.54 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.398 0.679 . . . . 5.23 112.177 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 9.64 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 2.34 111.276 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtm -42.54 126.01 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 2.68 112.349 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -80.78 178.48 8.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.96 -1.018 . . . . 1.22 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.9 tp-100 -56.24 -45.09 80.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.135 -0.32 . . . . 2.47 110.135 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.8 tp -62.84 -45.51 92.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.086 -0.506 . . . . 1.81 110.966 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.711 ' OE2' ' HB2' ' B' ' 48' ' ' PHE . 1.6 mm-40 -61.2 -50.64 72.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.237 0.542 . . . . 2.29 110.388 -176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 25.3 mmt180 -60.71 -37.53 82.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.265 -0.879 . . . . 3.54 110.488 178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.72 ' ND2' HG13 ' B' ' 15' ' ' ILE . 4.1 t30 -69.62 -44.44 70.66 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.739 -1.119 . . . . 1.71 110.717 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 8' ' ' LEU . 94.7 mt -61.13 -47.78 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 0.32 110.634 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -63.82 -32.48 74.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 1.95 111.093 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.7 m -58.4 -43.52 88.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 121.086 -0.245 . . . . 0.44 110.872 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.725 HG13 ' ND2' ' B' ' 11' ' ' ASN . 63.2 mt -64.77 -46.29 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.952 0.406 . . . . 0.42 110.438 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 76.5 mt -59.46 -40.49 81.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.42 110.671 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 20' ' ' HIS . 73.1 m-20 -70.1 -31.37 68.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.76 112.012 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 45.2 m -69.07 -50.34 49.23 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.386 0.612 . . . . 0.8 109.57 177.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -54.31 -43.45 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.511 -0.768 . . . . 3.66 108.964 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.681 ' CE1' ' HB3' ' B' ' 96' ' ' GLU . 13.4 t-160 -55.28 -51.22 67.38 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.805 -1.089 . . . . 2.82 112.048 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.8 pt20 -66.51 -32.95 74.63 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.919 0.34 . . . . 1.45 111.919 -174.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD2' HD23 ' A' ' 40' ' ' LEU . 89.3 m-85 -79.16 -33.53 43.98 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.094 -0.642 . . . . 1.4 111.059 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.625 ' OG ' ' HG ' ' A' ' 32' ' ' LEU . 18.5 m -77.57 -28.55 51.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.472 0.653 . . . . 1.04 110.75 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.638 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.5 p -74.81 -2.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.547 -0.751 . . . . 0.69 111.625 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 36' ' ' GLU . 82.4 mttt -59.62 -23.91 63.38 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 120.552 -0.459 . . . . 2.17 110.566 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 33' ' ' ASN . 5.3 mp -87.66 -19.01 28.29 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.22 0.452 . . . . 2.04 112.22 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.42 141.66 5.19 Favored Glycine 0 N--CA 1.461 0.31 0 N-CA-C 110.703 -0.959 . . . . 1.43 110.703 -170.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 38.77 80.04 0.29 Allowed Pre-proline 0 N--CA 1.481 1.076 0 N-CA-C 108.085 -1.08 . . . . 3.7 108.085 -166.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 49.6 Cg_endo -74.65 40.51 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.438 0 N-CA-C 116.586 1.726 . . . . 2.64 116.586 -146.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -72.16 7.92 1.51 Allowed 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 123.5 2.864 . . . . 2.56 113.497 -149.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 41.7 p -154.48 147.65 24.78 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.058 0.543 . . . . 1.4 110.918 -166.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 ' HG ' ' OG ' ' A' ' 23' ' ' SER . 17.3 mt -105.31 121.01 42.99 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.035 -1.098 . . . . 0.73 108.035 159.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.607 HD21 HD21 ' A' ' 26' ' ' LEU . 15.6 m-80 -80.6 176.92 9.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.302 -1.359 . . . . 2.37 109.171 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.704 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 54.3 tt0 -54.78 -42.41 71.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.177 -0.465 . . . . 1.42 111.181 -174.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.82 -40.73 51.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.831 -0.699 . . . . 0.44 112.159 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG3' ' HD2' ' A' ' 25' ' ' LYS . 1.9 mp0 -67.53 -39.39 85.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.541 -0.329 . . . . 2.0 110.709 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' A' ' 74' ' ' LEU . 54.4 t80 -65.52 -43.75 89.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 1.47 110.9 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.704 ' HD3' ' O ' ' A' ' 34' ' ' GLN . 2.7 mptm? -53.6 -43.42 68.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.737 -0.468 . . . . 1.38 109.737 175.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.32 -45.09 85.71 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.363 -0.835 . . . . 1.74 111.273 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 22' ' ' TYR . 2.7 tm? -59.31 -46.89 87.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.717 -0.475 . . . . 1.43 109.717 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 85.3 t -58.52 -36.39 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.4 110.965 173.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 12.2 mmm180 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.567 0.58 . . . . 3.25 112.567 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -103.0 -45.67 4.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.712 1.004 . . . . 2.33 113.712 -169.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -43.56 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.737 -0.785 . . . . 1.88 111.222 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HA ' ' OE2' ' B' ' 9' ' ' GLU . 75.9 mt -80.35 3.52 20.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.259 0.552 . . . . 0.44 111.055 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 8.7 pt20 -51.62 -22.32 3.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.263 -0.88 . . . . 1.46 112.051 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.657 ' O ' ' HA3' ' A' ' 110' ' ' GLY . 3.8 t30 -100.61 -50.65 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 2.14 110.975 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.71 ' HB2' ' OE2' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.77 -32.33 69.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.458 0.647 . . . . 1.91 109.743 -174.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' A' ' 45' ' ' LEU . 71.1 mt -110.17 21.48 16.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.625 -0.716 . . . . 0.61 111.369 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.03 -41.34 34.52 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.876 0.695 . . . . 2.16 112.876 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -63.02 -39.47 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.481 0.658 . . . . 1.25 110.326 -178.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 29.9 tt0 -74.16 -32.7 63.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.079 -0.964 . . . . 2.13 110.232 176.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.719 ' ND2' ' HA ' ' A' ' 42' ' ' ARG . 24.3 t-20 -62.18 -21.46 65.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.872 -1.058 . . . . 1.7 111.383 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 14.7 tmtt? -82.51 -16.76 47.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.732 -0.667 . . . . 3.34 110.863 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -125.96 145.9 50.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.937 -0.394 . . . . 1.92 109.937 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 36.4 tt0 -82.04 -41.29 20.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.871 0.367 . . . . 2.46 110.497 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.69 -32.4 72.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 2.5 111.958 -171.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 6.4 t -67.86 -39.72 82.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.183 0.516 . . . . 0.66 109.702 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.89 -34.46 64.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.425 -0.807 . . . . 1.05 110.386 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' HG2' ' CE ' ' A' ' 38' ' ' LYS . 8.7 mt-10 -65.05 -34.55 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 1.86 110.433 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.61 -47.81 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.562 -0.533 . . . . 1.87 109.562 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 47.8 mm -62.67 -33.98 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.435 0.636 . . . . 1.18 110.557 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.529 ' O ' HD21 ' A' ' 74' ' ' LEU . 13.4 tpt -59.23 -49.26 78.52 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 114.594 -1.184 . . . . 1.05 111.74 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 tm-20 -107.72 -28.54 9.64 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 114.656 -2.818 . . . . 2.37 109.265 -166.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.94 -34.15 65.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.547 -0.461 . . . . 1.93 110.069 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 78' ' ' GLU . 7.6 mp -93.54 -12.18 30.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.67 0.619 . . . . 1.26 112.67 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.479 ' CB ' ' HA ' ' A' ' 64' ' ' GLU . 21.0 t0 -62.46 84.94 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.292 1.044 . . . . 1.39 110.266 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -65.99 -33.9 76.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.493 -1.685 . . . . 1.98 112.129 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.31 -2.31 58.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.437 0.637 . . . . 2.25 109.591 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.37 23.92 7.84 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.809 -1.087 . . . . 1.15 113.667 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.1 22.87 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.191 -0.318 . . . . 1.95 111.205 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HE3' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER 66.32 43.31 2.75 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.629 0.728 . . . . 1.64 110.204 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -144.67 140.07 28.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.689 -1.141 . . . . 1.59 108.803 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB3' ' CD ' ' A' ' 78' ' ' GLU . 16.0 mt -111.92 116.84 31.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.183 0.516 . . . . 0.7 111.227 -174.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 25.3 t -97.29 150.14 21.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.825 -1.176 . . . . 1.42 107.825 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' O ' HG23 ' A' ' 80' ' ' ILE . 17.9 t80 -45.6 -34.28 3.3 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.825 1.046 . . . . 3.07 113.825 -169.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.818 ' O ' HG12 ' A' ' 80' ' ' ILE . 2.2 mp0 -56.58 -28.21 59.75 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.954 0.883 . . . . 2.03 109.962 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.586 ' CD ' ' HB3' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.02 -44.58 79.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.489 0.661 . . . . 3.18 109.833 172.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 83' ' ' MET . 16.4 t80 -70.51 -29.08 65.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.887 -1.051 . . . . 3.12 110.308 -173.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.97 HD13 ' HB2' ' B' ' 84' ' ' ALA . 5.9 pt -64.93 -45.76 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.021 -0.733 . . . . 2.0 109.021 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.865 ' HA ' HD12 ' B' ' 80' ' ' ILE . 0.4 OUTLIER -52.46 -38.12 58.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.119 0.485 . . . . 2.01 110.206 172.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.91 -36.48 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.079 -0.51 . . . . 1.38 110.245 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 79' ' ' PHE . 33.1 mmt -59.69 -29.85 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.91 110.27 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.971 ' HB2' HD13 ' B' ' 80' ' ' ILE . . . -74.74 -38.98 62.12 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.144 0.497 . . . . 0.35 110.48 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 14.5 mtp180 -67.78 -37.2 81.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.781 -0.645 . . . . 1.67 109.618 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.441 HD21 HD21 ' A' ' 49' ' ' LEU . 80.9 mt -69.12 -28.01 66.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.752 -0.658 . . . . 1.68 109.749 172.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 28.4 m -69.84 -28.37 65.62 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.166 -0.47 . . . . 0.48 110.841 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -68.78 -37.02 79.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.605 0.717 . . . . 3.49 109.229 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 92' ' ' GLU . . . -71.71 -29.26 64.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 1.18 110.072 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 94' ' ' MET . 19.3 m -86.59 -2.08 58.2 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.983 -0.553 . . . . 1.74 110.057 175.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 94' ' ' MET . 55.5 t-80 -84.63 -33.05 23.38 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.183 -1.043 . . . . 3.33 108.183 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -76.47 -33.57 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.925 -1.034 . . . . 3.3 110.535 170.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 109' ' ' LEU . 26.0 mtmt -81.91 -4.61 57.0 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.792 0.329 . . . . 5.63 111.433 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.514 ' HB2' ' HA ' ' A' ' 91' ' ' HIS . 36.9 ttp -66.63 9.06 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.645 0.979 . . . . 5.55 113.645 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.52 105.17 1.76 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.575 0.702 . . . . 5.1 109.953 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.669 ' HB3' ' CE1' ' B' ' 20' ' ' HIS . 0.3 OUTLIER -96.13 166.05 11.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.973 -1.012 . . . . 5.97 111.58 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.4 -8.49 0.51 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 113.016 -1.902 . . . . 7.17 114.214 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.647 ' H ' ' HG2' ' A' ' 96' ' ' GLU . 22.4 t70 -66.75 -23.76 66.13 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.044 0.45 . . . . 9.86 111.012 -173.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.5 19.31 16.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.808 0.813 . . . . 8.93 108.973 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.49 -158.56 8.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.25 -0.886 . . . . 6.76 112.191 -171.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.15 162.17 9.88 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.309 2.673 . . . . 7.95 112.018 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.4 -6.93 84.77 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 116.227 -0.442 . . . . 10.53 112.075 -171.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -138.38 132.34 31.32 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.048 -1.464 . . . . 12.94 107.048 168.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.477 ' ND1' ' HA ' ' A' ' 96' ' ' GLU . 1.9 p80 -122.11 146.77 46.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.2 0.524 . . . . 8.25 111.552 -167.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -142.78 129.13 19.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.573 -0.899 . . . . 8.24 108.573 171.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -119.09 103.85 47.14 Favored Pre-proline 0 C--N 1.318 -0.769 0 C-N-CA 120.6 -0.44 . . . . 6.23 110.224 -176.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -72.68 162.03 42.33 Favored 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.488 2.792 . . . . 2.91 111.316 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.635 ' H ' ' HB2' ' A' ' 111' ' ' GLU . . . 94.25 43.51 3.74 Favored Glycine 0 N--CA 1.429 -1.811 0 C-N-CA 118.87 -1.633 . . . . 3.18 114.905 159.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 93' ' ' LYS . 4.0 tt -87.59 -46.35 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 105.799 -1.926 . . . . 2.15 105.799 161.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 47' ' ' ASN . . . -124.38 -16.1 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 114.355 -1.293 . . . . 2.79 110.474 160.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HB2' ' H ' ' A' ' 108' ' ' GLY . 2.3 mp0 -68.31 152.21 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.007 -0.596 . . . . 3.67 111.629 -171.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.62 111.64 1.05 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.169 -0.772 . . . . 2.84 111.169 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 t -124.53 144.48 46.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.034 -0.358 . . . . 3.88 110.034 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 122.854 2.369 . . . . 5.2 112.269 177.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.61 0.243 . . . . 9.07 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -158.5 129.47 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.469 -0.332 . . . . 6.86 110.504 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p 48.11 69.56 0.53 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.332 0.653 . . . . 5.24 112.192 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.98 9.87 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.9 -0.591 . . . . 2.34 111.264 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtm -42.67 126.06 3.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 2.68 112.322 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -80.77 178.42 8.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.842 -1.072 . . . . 1.22 109.58 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp-100 -56.45 -44.96 81.0 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.096 -0.335 . . . . 2.47 110.096 -177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.534 ' O ' HG13 ' B' ' 12' ' ' ILE . 22.8 tp -62.92 -45.32 93.05 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.21 -0.45 . . . . 1.81 111.018 -178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.71 ' OE2' ' HB2' ' A' ' 48' ' ' PHE . 1.6 mm-40 -61.28 -50.58 72.45 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.234 0.54 . . . . 2.28 110.484 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 25.3 mmt180 -60.68 -37.61 82.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 3.54 110.407 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.725 ' ND2' HG13 ' A' ' 15' ' ' ILE . 4.3 t30 -69.55 -44.48 70.84 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.692 -1.14 . . . . 1.7 110.743 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 8' ' ' LEU . 94.1 mt -61.21 -47.69 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.662 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -63.76 -32.59 74.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.091 -0.504 . . . . 1.95 111.081 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 93.9 m -58.34 -43.49 88.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.7 0.286 . . . . 0.44 110.978 176.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.72 HG13 ' ND2' ' A' ' 11' ' ' ASN . 63.3 mt -64.91 -46.08 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.949 0.404 . . . . 0.42 110.406 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' B' ' 20' ' ' HIS . 76.0 mt -59.49 -40.64 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.561 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' B' ' 20' ' ' HIS . 73.5 m-20 -70.16 -31.29 68.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.277 -0.42 . . . . 1.76 112.032 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 38.8 m -68.89 -50.47 49.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.457 0.646 . . . . 0.8 109.645 177.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.23 -43.38 70.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.418 -0.81 . . . . 3.66 109.035 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.669 ' CE1' ' HB3' ' A' ' 96' ' ' GLU . 13.4 t-160 -55.47 -51.26 67.53 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.722 -1.126 . . . . 2.83 112.039 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.8 pt20 -66.41 -32.79 74.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.918 0.34 . . . . 1.45 111.918 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 40' ' ' LEU . 89.3 m-85 -79.28 -33.48 43.35 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.116 -0.634 . . . . 1.4 111.081 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.619 ' OG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 m -77.72 -28.46 50.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.513 0.673 . . . . 1.04 110.776 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.648 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -75.0 -2.35 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.69 111.658 -175.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.573 ' HD2' ' HG3' ' B' ' 36' ' ' GLU . 82.2 mttt -59.76 -24.18 63.85 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.655 -0.418 . . . . 2.17 110.468 176.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 33' ' ' ASN . 5.3 mp -87.56 -19.23 28.13 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.237 0.458 . . . . 2.04 112.237 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.68 141.69 5.37 Favored Glycine 0 N--CA 1.461 0.361 0 CA-C-O 118.822 -0.988 . . . . 1.43 110.735 -170.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 38.75 79.87 0.3 Allowed Pre-proline 0 N--CA 1.479 0.99 0 N-CA-C 108.071 -1.085 . . . . 3.7 108.071 -166.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.648 ' HB3' ' HA ' ' B' ' 24' ' ' VAL . 50.3 Cg_endo -74.58 40.53 0.63 Allowed 'Trans proline' 0 CA--C 1.515 -0.439 0 N-CA-C 116.562 1.716 . . . . 2.64 116.562 -145.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -72.11 7.87 1.51 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 123.515 2.871 . . . . 2.56 113.46 -149.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' PRO . 43.1 p -154.42 147.49 24.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.146 0.579 . . . . 1.4 111.008 -165.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.619 ' HG ' ' OG ' ' B' ' 23' ' ' SER . 17.3 mt -105.3 121.03 43.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.97 -1.122 . . . . 0.73 107.97 159.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.613 HD21 HD21 ' B' ' 26' ' ' LEU . 14.3 m-80 -80.62 176.92 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.373 -1.331 . . . . 2.37 109.088 175.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.708 ' O ' ' HD3' ' B' ' 38' ' ' LYS . 54.9 tt0 -55.0 -42.32 72.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.147 -0.479 . . . . 1.42 111.072 -174.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.78 -40.83 51.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.928 -0.653 . . . . 0.44 112.17 -176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.573 ' HG3' ' HD2' ' B' ' 25' ' ' LYS . 2.0 mp0 -67.53 -39.39 85.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.323 . . . . 2.01 110.733 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' B' ' 74' ' ' LEU . 54.2 t80 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.47 110.933 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.708 ' HD3' ' O ' ' B' ' 34' ' ' GLN . 2.7 mptm? -53.69 -43.24 68.76 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.781 -0.452 . . . . 1.39 109.781 175.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.47 -44.84 85.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.4 -0.818 . . . . 1.75 111.399 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 22' ' ' TYR . 2.7 tm? -59.59 -46.77 87.95 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.615 -0.513 . . . . 1.43 109.615 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 84.6 t -58.61 -36.48 60.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.4 110.873 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.703 ' HA ' ' ND2' ' B' ' 53' ' ' ASN . 12.1 mmm180 -74.64 -31.33 61.93 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 112.537 0.569 . . . . 3.25 112.537 -173.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.78 -45.68 4.93 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.66 0.985 . . . . 2.33 113.66 -169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.61 -43.42 6.84 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.714 -0.795 . . . . 1.87 111.29 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.618 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 75.8 mt -80.41 3.51 21.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.696 0.623 . . . . 0.44 111.05 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 8.8 pt20 -51.53 -22.41 3.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.302 -0.863 . . . . 1.46 111.993 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.667 ' O ' ' HA3' ' B' ' 110' ' ' GLY . 3.8 t30 -100.61 -50.62 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 2.14 110.978 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.711 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -70.74 -32.2 69.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.489 0.661 . . . . 1.92 109.812 -174.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.46 HD12 HD13 ' B' ' 45' ' ' LEU . 70.1 mt -110.33 21.47 16.66 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.578 -0.737 . . . . 0.61 111.389 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -49.13 -41.07 34.92 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.843 0.683 . . . . 2.15 112.843 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.1 OUTLIER -63.04 -39.93 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.637 . . . . 1.25 110.279 -179.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.462 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 30.5 tt0 -73.95 -32.39 63.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.168 -0.923 . . . . 2.13 110.19 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.703 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 24.3 t-20 -62.24 -21.69 65.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.92 -1.036 . . . . 1.7 111.437 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 54' ' ' LYS . 14.8 tmtt? -82.33 -17.18 46.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 3.34 110.784 -173.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.54 146.15 49.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.879 -0.415 . . . . 1.92 109.879 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 36.6 tt0 -82.37 -41.43 19.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.846 0.355 . . . . 2.46 110.469 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.66 -32.35 72.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.671 . . . . 2.5 111.95 -171.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 6.2 t -67.86 -39.64 82.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.256 0.55 . . . . 0.66 109.729 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.04 -34.3 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 1.05 110.384 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.517 ' HG2' ' CE ' ' B' ' 38' ' ' LYS . 8.4 mt-10 -65.11 -34.74 79.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 1.85 110.483 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -59.45 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.617 -0.512 . . . . 1.87 109.617 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' LEU . 47.7 mm -62.74 -33.8 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.648 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.531 ' O ' HD21 ' B' ' 74' ' ' LEU . 13.4 tpt -59.42 -49.28 78.42 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.612 -1.177 . . . . 1.05 111.663 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' B' ' 67' ' ' ASP . 6.4 tm-20 -107.63 -28.64 9.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 114.71 -2.796 . . . . 2.36 109.387 -166.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.09 -33.87 65.48 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.628 -0.429 . . . . 1.93 110.13 170.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.525 ' HB3' ' HG2' ' B' ' 78' ' ' GLU . 7.6 mp -93.58 -12.14 30.21 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.747 0.647 . . . . 1.26 112.747 175.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.488 ' CB ' ' HA ' ' B' ' 64' ' ' GLU . 18.3 t0 -62.5 84.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 122.188 0.994 . . . . 1.4 110.449 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 10.8 t -65.6 -33.85 76.86 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.65 -1.614 . . . . 1.98 112.105 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -88.35 -2.29 58.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.453 0.644 . . . . 2.25 109.664 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.49 24.01 8.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.65 -1.159 . . . . 1.14 113.605 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.19 22.93 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.086 -0.245 . . . . 1.95 111.206 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' B' ' 72' ' ' LYS . 0.8 OUTLIER 66.23 43.32 2.83 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.628 0.727 . . . . 1.64 110.298 -179.628 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.74 140.12 28.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.631 -1.168 . . . . 1.59 108.797 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.581 ' HB3' ' CD ' ' B' ' 78' ' ' GLU . 16.1 mt -111.87 116.99 31.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.23 0.538 . . . . 0.7 111.327 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' B' ' 78' ' ' GLU . 25.4 t -97.43 150.06 21.45 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.911 -1.144 . . . . 1.41 107.911 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.586 ' O ' HG23 ' B' ' 80' ' ' ILE . 17.7 t80 -45.63 -34.14 3.28 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.916 1.08 . . . . 3.06 113.916 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.808 ' O ' HG12 ' B' ' 80' ' ' ILE . 2.2 mp0 -56.6 -28.4 60.26 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 122.029 0.919 . . . . 2.04 109.983 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.581 ' CD ' ' HB3' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -66.74 -44.56 81.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.609 0.718 . . . . 3.18 109.938 172.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' B' ' 83' ' ' MET . 16.3 t80 -70.61 -29.02 65.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.817 -1.083 . . . . 3.12 110.4 -173.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' A' ' 84' ' ' ALA . 5.9 pt -64.91 -45.97 93.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.954 -0.758 . . . . 2.0 108.954 175.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.884 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -52.23 -38.15 57.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.061 0.458 . . . . 2.01 110.223 172.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.94 -36.42 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 1.38 110.259 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 79' ' ' PHE . 33.1 mmt -59.73 -29.85 68.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.91 110.272 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.97 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -74.76 -38.87 62.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.211 0.529 . . . . 0.35 110.563 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.606 ' HD2' ' SD ' ' B' ' 81' ' ' MET . 14.6 mtp180 -67.98 -37.0 80.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.66 -0.7 . . . . 1.67 109.637 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.438 HD21 HD21 ' B' ' 49' ' ' LEU . 80.9 mt -69.28 -28.0 65.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 1.68 109.714 172.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' B' ' 84' ' ' ALA . 28.0 m -69.88 -28.36 65.58 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.236 -0.438 . . . . 0.48 110.868 174.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -68.68 -37.1 79.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.595 0.712 . . . . 3.49 109.293 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' B' ' 92' ' ' GLU . . . -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.865 0.841 . . . . 1.18 110.144 174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 94' ' ' MET . 19.3 m -86.5 -2.22 58.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.763 -0.653 . . . . 1.74 109.955 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . 0.517 ' HA ' ' HB2' ' B' ' 94' ' ' MET . 55.4 t-80 -84.47 -33.11 23.68 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.241 -1.022 . . . . 3.33 108.241 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 1.0 OUTLIER -76.35 -33.75 58.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.905 -1.043 . . . . 3.29 110.527 170.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' B' ' 109' ' ' LEU . 26.0 mtmt -81.79 -4.6 56.79 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.859 0.361 . . . . 5.62 111.416 173.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.517 ' HB2' ' HA ' ' B' ' 91' ' ' HIS . 36.5 ttp -66.69 9.06 0.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.792 1.034 . . . . 5.55 113.792 -173.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -67.48 104.78 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.585 0.707 . . . . 5.11 110.069 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.681 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -95.81 165.92 12.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.951 -1.022 . . . . 5.97 111.588 -175.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.41 -8.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 112.991 -1.913 . . . . 7.19 114.279 -175.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.639 ' H ' ' HG2' ' B' ' 96' ' ' GLU . 19.8 t70 -67.0 -23.44 65.93 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 121.152 0.501 . . . . 9.86 111.113 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -114.72 19.4 16.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.897 0.856 . . . . 8.93 108.945 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.81 -158.59 8.58 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.166 -0.925 . . . . 6.77 112.042 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.24 162.26 9.93 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.427 2.751 . . . . 7.97 111.965 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 -7.37 84.77 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.192 -0.458 . . . . 10.54 112.076 -171.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -138.22 132.22 31.45 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.055 -1.461 . . . . 12.94 107.055 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' B' ' 96' ' ' GLU . 1.8 p80 -121.92 146.82 46.75 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.42 -0.512 . . . . 8.26 111.571 -167.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -142.82 129.03 19.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.472 -0.936 . . . . 8.24 108.472 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -118.96 103.65 47.72 Favored Pre-proline 0 C--N 1.318 -0.799 0 C-N-CA 120.66 -0.416 . . . . 6.24 110.377 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.5 161.94 42.78 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.572 2.848 . . . . 2.91 111.4 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.619 ' H ' ' HB2' ' B' ' 111' ' ' GLU . . . 94.36 43.39 3.74 Favored Glycine 0 N--CA 1.427 -1.926 0 C-N-CA 118.957 -1.592 . . . . 3.17 115.017 159.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.413 ' HB2' ' HE2' ' B' ' 93' ' ' LYS . 3.9 tt -87.45 -46.38 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.77 -1.937 . . . . 2.15 105.77 161.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.667 ' HA3' ' O ' ' B' ' 47' ' ' ASN . . . -124.35 -16.1 3.23 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 114.364 -1.289 . . . . 2.79 110.455 160.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.619 ' HB2' ' H ' ' B' ' 108' ' ' GLY . 2.2 mp0 -68.4 152.13 45.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.072 -0.564 . . . . 3.68 111.697 -171.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.25 111.39 1.04 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.124 -0.79 . . . . 2.85 111.124 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 8.7 t -124.58 143.74 44.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.944 0.372 . . . . 3.89 110.15 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 122.887 2.391 . . . . 5.21 112.491 178.512 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.333 -0.247 . . . . 9.06 110.333 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 m 60.27 80.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.528 0.518 . . . . 6.86 110.821 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -56.22 -53.41 57.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 5.23 110.532 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.59 -55.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.452 -0.944 . . . . 2.34 108.452 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtm -49.88 133.97 21.56 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.448 -0.797 . . . . 2.68 110.754 170.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.59 176.48 9.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.884 -1.053 . . . . 1.22 110.704 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.26 -45.55 83.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.169 0.509 . . . . 2.47 109.953 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG13 ' A' ' 12' ' ' ILE . 24.9 tp -64.63 -44.39 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.047 -0.979 . . . . 1.81 111.118 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' B' ' 44' ' ' ASP . 55.6 mt-10 -66.31 -51.48 56.91 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.078 0.77 . . . . 2.29 113.078 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.5 -34.2 73.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.282 0.563 . . . . 3.54 109.743 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.62 ' OD1' HG13 ' B' ' 15' ' ' ILE . 12.5 t-20 -64.04 -50.15 69.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.161 -0.927 . . . . 1.71 110.194 177.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 8' ' ' LEU . 82.3 mt -59.94 -40.39 82.83 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.32 110.325 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -60.38 -35.34 75.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 1.95 110.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.3 m -62.67 -45.87 90.8 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.127 0.489 . . . . 0.44 110.355 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 ' OD1' ' B' ' 11' ' ' ASN . 31.1 mt -63.01 -48.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.42 111.01 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -56.26 -42.77 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.763 -0.653 . . . . 0.42 110.702 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.12 -45.32 92.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.665 -0.698 . . . . 1.76 110.924 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.635 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.5 m -62.15 -50.37 72.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.8 111.106 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 9.9 m-30 -57.65 -41.81 82.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.083 0.468 . . . . 3.66 110.254 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.65 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 16.6 m80 -70.82 -37.76 73.23 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.653 -0.703 . . . . 2.82 112.786 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 18' ' ' THR . 28.3 pt20 -64.24 -33.38 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.493 -0.483 . . . . 1.45 110.624 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' HD1' ' O ' ' A' ' 18' ' ' THR . 76.3 m-85 -79.18 -34.22 43.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.963 -0.295 . . . . 1.4 111.433 175.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.65 ' OG ' ' HA ' ' A' ' 20' ' ' HIS . 4.0 p -78.14 -33.91 50.16 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.378 0.609 . . . . 1.04 111.443 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 28' ' ' HIS . 5.3 p -73.69 -5.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.613 -0.721 . . . . 0.69 110.348 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 97.7 mttt -62.47 -24.36 67.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.995 -0.548 . . . . 2.17 110.677 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.49 8.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.469 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.6 -28.01 8.88 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.776 -0.726 . . . . 1.43 113.65 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.622 ' H ' ' CD ' ' A' ' 29' ' ' PRO . 74.4 t60 176.98 -30.44 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.481 0 N-CA-C 113.124 0.787 . . . . 3.7 113.124 -171.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -52.46 155.24 10.17 Favored 'Trans proline' 0 CA--C 1.446 -3.889 0 C-N-CA 124.211 3.274 . . . . 2.64 116.857 -169.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.38 13.34 24.02 Favored 'General case' 0 C--N 1.247 -3.857 0 O-C-N 120.31 -1.494 . . . . 2.56 109.887 -173.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.598 HG22 ' CA ' ' A' ' 75' ' ' SER . 42.2 p -126.51 139.82 52.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.956 -1.02 . . . . 1.4 111.511 -163.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' HE1' ' A' ' 63' ' ' MET . 89.9 mt -90.65 120.04 31.39 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.137 -0.938 . . . . 0.73 109.052 176.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 73' ' ' GLN . 26.0 t-20 -81.72 174.99 10.83 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.5 -0.926 . . . . 2.37 108.5 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -48.92 -44.51 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.973 0.509 . . . . 1.42 112.054 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -43.82 72.21 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.936 -0.649 . . . . 0.44 112.648 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 21.8 mm-40 -69.96 -36.1 74.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.605 0.24 . . . . 2.0 111.289 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 74' ' ' LEU . 88.2 t80 -60.11 -52.48 65.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.948 0.404 . . . . 1.47 110.296 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 26.4 mtpp -55.9 -39.29 71.38 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.46 -0.791 . . . . 1.38 110.288 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 tp10 -65.1 -45.82 83.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.766 0.666 . . . . 1.74 110.868 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' A' ' 79' ' ' PHE . 2.8 tm? -59.93 -54.05 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.707 -0.479 . . . . 1.43 109.707 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.618 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 96.9 t -57.22 -36.28 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 0.4 110.744 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 41.6 ttm180 -67.64 -33.54 75.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.262 -0.881 . . . . 3.25 112.686 -170.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 17.1 ptpt -128.67 -15.82 4.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.606 0.965 . . . . 2.33 113.606 -172.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' B' ' 9' ' ' GLU . 3.2 m-20 -108.23 -32.56 7.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.347 -0.541 . . . . 1.88 111.875 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 89.6 mt -101.98 5.63 40.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.239 0.616 . . . . 0.44 110.895 174.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 12.4 pt20 -50.4 -22.11 1.72 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.758 1.021 . . . . 1.46 113.758 -174.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' OD1' ' HG3' ' A' ' 111' ' ' GLU . 1.6 t-20 -103.93 -49.05 3.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.033 0.444 . . . . 2.14 110.017 -175.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' O ' HD13 ' A' ' 109' ' ' LEU . 3.3 m-30 -65.03 -36.35 84.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.642 0.734 . . . . 1.91 109.592 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 mt -110.06 24.96 12.33 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.435 -0.802 . . . . 0.61 110.323 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.73 -43.21 17.79 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -63.64 -38.28 90.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.387 0.613 . . . . 1.25 110.468 -179.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.38 -32.92 64.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.998 -1.001 . . . . 2.13 109.997 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.36 -16.58 62.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 1.7 110.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.11 -15.31 51.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.425 -0.807 . . . . 3.34 110.966 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -132.35 145.18 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 1.92 110.202 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 41.8 mt-10 -76.11 -45.61 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 2.46 111.103 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.85 -25.99 67.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 2.5 112.162 -169.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -71.32 -40.75 73.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.09 0.471 . . . . 0.66 109.816 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG21 ' HA ' ' A' ' 38' ' ' LYS . 30.2 mt -63.77 -38.39 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.436 -0.802 . . . . 1.05 109.934 176.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.6 mm-40 -59.76 -38.67 82.44 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.829 -0.623 . . . . 1.86 110.632 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -66.17 -49.2 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 1.87 110.518 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.97 -34.36 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 1.18 110.115 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.508 ' O ' HD21 ' A' ' 74' ' ' LEU . 12.1 tpt -58.11 -53.46 58.03 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 114.172 -1.376 . . . . 1.05 111.974 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -105.32 -26.85 11.83 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 114.792 -2.763 . . . . 2.37 108.937 -162.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.06 -35.97 67.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.464 -0.335 . . . . 1.93 110.815 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 82' ' ' LEU . 62.2 mt -78.57 -24.68 45.4 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.591 0.589 . . . . 1.26 112.591 176.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' HA ' ' A' ' 70' ' ' ALA . 9.9 t70 -65.34 76.99 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.507 1.146 . . . . 1.39 110.231 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 m -70.5 -24.35 62.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.799 -1.546 . . . . 1.98 110.927 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -85.58 -1.5 57.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.172 0.511 . . . . 2.25 109.635 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' HA ' ' OD1' ' A' ' 67' ' ' ASP . . . 53.1 36.84 23.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.469 -1.241 . . . . 1.15 111.458 173.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -116.3 7.81 14.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 1.95 110.411 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.16 29.1 14.08 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.867 0.841 . . . . 1.64 109.339 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 29.2 mt-30 -143.06 139.27 30.44 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.16 -1.382 . . . . 1.59 108.973 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' THR . 45.8 mt -106.86 115.69 30.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.063 0.458 . . . . 0.7 111.05 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.598 ' CA ' HG22 ' A' ' 31' ' ' THR . 94.6 p -79.55 172.01 14.37 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.28 -0.873 . . . . 1.42 110.245 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 7.0 p90 -51.89 -40.75 61.18 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.494 -0.321 . . . . 3.07 111.237 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 80' ' ' ILE . 28.1 mm-40 -65.17 -45.58 84.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.992 0.425 . . . . 2.03 111.706 -178.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.38 -44.48 51.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.453 0.644 . . . . 3.18 110.724 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 31.0 t80 -71.98 -29.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 3.12 110.827 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' B' ' 84' ' ' ALA . 2.5 tp -66.15 -38.19 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.263 -0.643 . . . . 2.0 109.263 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 25.9 ttt -54.42 -36.68 64.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.974 -0.557 . . . . 2.01 110.482 172.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 38.3 tp -60.54 -42.22 96.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.934 0.397 . . . . 1.38 110.243 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.41 ' SD ' ' HZ ' ' A' ' 19' ' ' PHE . 25.6 mmt -61.51 -27.57 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.682 -0.69 . . . . 0.91 110.169 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.738 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -78.18 -42.55 31.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.35 110.671 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 81' ' ' MET . 33.8 mtp180 -59.32 -36.53 75.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.629 0.728 . . . . 1.67 109.227 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.97 -33.45 61.9 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.05 -0.977 . . . . 1.68 109.984 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 m -65.19 -37.54 87.64 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.371 0.605 . . . . 0.48 109.854 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.671 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 74.1 t90 -65.45 -39.06 91.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.436 -0.802 . . . . 3.49 109.496 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.86 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.96 0.41 . . . . 1.18 110.851 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m -68.01 -37.85 81.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.078 -0.51 . . . . 1.74 110.819 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 95' ' ' HIS . 14.0 t-160 -81.18 -16.9 51.51 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.094 -0.642 . . . . 3.33 109.813 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 52.5 mm-40 -67.74 -32.27 72.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 3.3 110.699 175.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 1.8 tpmt? -100.33 -23.26 14.82 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 119.966 -0.694 . . . . 5.63 111.118 175.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 86.0 mtp -97.49 12.51 33.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.916 0.339 . . . . 5.55 111.916 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 91' ' ' HIS . 3.3 p80 -65.8 100.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 122.308 1.052 . . . . 5.1 110.91 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.54 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 0.2 OUTLIER -57.05 161.08 3.24 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 113.776 -1.556 . . . . 5.97 107.895 164.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.64 -57.92 15.51 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.482 -1.818 . . . . 7.17 111.198 -165.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.67 -39.75 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.426 1.113 . . . . 9.86 112.191 147.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -119.55 -8.53 9.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.46 -0.791 . . . . 8.93 110.033 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.54 ' CA ' ' HB2' ' A' ' 96' ' ' GLU . . . -169.04 142.65 7.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.096 -1.05 . . . . 6.76 112.612 -171.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.433 ' HD3' ' HA2' ' A' ' 100' ' ' GLY . 11.0 Cg_exo -72.34 137.07 27.66 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.425 2.083 . . . . 7.95 112.514 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.72 -15.79 10.69 Favored Glycine 0 CA--C 1.506 -0.482 0 N-CA-C 109.465 -1.454 . . . . 10.53 109.465 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -139.79 141.93 36.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 105.443 -2.058 . . . . 12.94 105.443 174.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -93.81 135.36 35.21 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 121.72 0.772 . . . . 8.25 111.656 -164.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 84.6 m-70 -112.59 163.75 14.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.43 -1.259 . . . . 8.24 111.249 -170.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 71.2 mmtt -68.16 126.55 92.79 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.86 -0.609 . . . . 6.23 112.08 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 83.7 Cg_exo -51.65 138.61 49.28 Favored 'Trans proline' 0 C--O 1.209 -0.962 0 C-N-CA 124.259 3.306 . . . . 2.91 115.872 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 49.4 -41.87 0.01 OUTLIER Glycine 0 C--N 1.307 -1.079 0 C-N-CA 128.574 2.987 . . . . 3.18 120.011 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 48' ' ' PHE . 1.4 tt -144.84 -52.4 0.29 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 120.742 2.271 . . . . 2.15 108.047 148.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.34 0.35 3.89 Favored Glycine 0 N--CA 1.46 0.242 0 CA-C-N 111.762 -2.472 . . . . 2.79 111.65 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' O ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -61.84 150.9 35.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 113.672 -1.264 . . . . 3.67 113.054 -159.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.93 110.98 2.64 Favored Glycine 0 N--CA 1.439 -1.153 0 C-N-CA 120.457 -0.877 . . . . 2.84 111.003 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.1 m -98.87 113.77 64.82 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 110.288 -0.264 . . . . 3.88 110.288 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.251 1.14 0 C-N-CA 122.982 2.454 . . . . 5.2 112.227 179.012 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.6 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.347 -0.242 . . . . 9.07 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m 59.94 81.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.045 0.45 . . . . 6.86 111.022 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -57.13 -52.48 65.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 5.24 110.345 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.88 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.149 -0.932 . . . . 2.34 108.574 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 62.6 mtm -49.79 133.92 21.2 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.52 -0.764 . . . . 2.68 110.735 170.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 176.49 9.38 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.904 -1.044 . . . . 1.22 110.687 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -57.43 -45.64 84.45 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.256 0.551 . . . . 2.47 109.894 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 12' ' ' ILE . 24.8 tp -64.38 -44.47 91.26 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.079 -0.964 . . . . 1.81 111.166 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 44' ' ' ASP . 55.9 mt-10 -66.29 -51.36 58.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.035 0.754 . . . . 2.28 113.035 -172.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -60.44 -34.48 74.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.205 0.526 . . . . 3.54 109.731 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.614 ' OD1' HG13 ' A' ' 15' ' ' ILE . 12.3 t-20 -63.88 -50.2 69.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.067 -0.969 . . . . 1.7 110.186 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 8' ' ' LEU . 81.9 mt -59.8 -40.5 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.33 110.33 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.43 -35.41 75.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.292 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 92.6 m -62.57 -46.14 89.7 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.008 0.432 . . . . 0.44 110.252 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.62 HG13 ' OD1' ' A' ' 11' ' ' ASN . 31.3 mt -62.55 -48.5 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.905 -0.589 . . . . 0.42 111.046 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.25 -42.52 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.42 110.743 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -63.32 -45.54 90.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 1.76 110.885 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 m -61.89 -50.66 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.8 111.166 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.437 ' CZ ' HG23 ' B' ' 15' ' ' ILE . 9.9 m-30 -57.19 -42.31 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 3.66 110.231 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.63 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 16.1 m80 -70.29 -37.92 74.91 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.674 -0.694 . . . . 2.83 112.764 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 18' ' ' THR . 28.4 pt20 -64.24 -33.31 75.53 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.589 -0.444 . . . . 1.45 110.577 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.508 ' HD1' ' O ' ' B' ' 18' ' ' THR . 77.3 m-85 -79.23 -34.12 43.03 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.5 -0.318 . . . . 1.4 111.468 175.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' B' ' 20' ' ' HIS . 3.9 p -78.61 -33.64 47.3 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.309 0.576 . . . . 1.04 111.318 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' B' ' 28' ' ' HIS . 5.1 p -73.24 -5.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.704 -0.68 . . . . 0.69 110.2 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' B' ' 36' ' ' GLU . 97.3 mttt -62.56 -24.13 67.36 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.03 -0.532 . . . . 2.17 110.612 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.73 13.42 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 2.04 110.316 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.66 -29.22 7.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.976 -0.631 . . . . 1.43 113.368 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.637 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 73.5 t60 179.59 -33.69 0.0 OUTLIER Pre-proline 0 CA--C 1.575 1.942 0 N-CA-C 113.524 0.935 . . . . 3.7 113.524 -173.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' H ' ' B' ' 28' ' ' HIS . 3.9 Cg_exo -45.27 155.3 0.4 Allowed 'Trans proline' 0 C--N 1.39 2.722 0 C-N-CA 125.236 3.957 . . . . 2.64 115.83 -172.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.43 11.31 28.85 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.742 -1.117 . . . . 2.56 110.193 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.604 HG22 ' CA ' ' B' ' 75' ' ' SER . 46.6 p -126.84 142.13 51.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.968 -1.015 . . . . 1.4 111.778 -163.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HE1' ' B' ' 63' ' ' MET . 86.3 mt -92.2 119.83 32.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.121 -0.945 . . . . 0.73 109.156 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' HG2' ' B' ' 73' ' ' GLN . 26.2 t-20 -81.64 174.22 11.59 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.471 -0.937 . . . . 2.37 108.471 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -48.64 -44.09 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.842 0.457 . . . . 1.42 111.873 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 -43.29 69.39 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.336 -0.935 . . . . 0.44 112.446 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' B' ' 25' ' ' LYS . 20.6 mm-40 -70.13 -36.22 74.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.656 0.265 . . . . 2.01 111.185 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.441 ' CD2' HD12 ' B' ' 74' ' ' LEU . 88.1 t80 -59.88 -52.62 64.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.47 110.343 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 26.4 mtpp -55.85 -39.15 71.05 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.395 -0.821 . . . . 1.39 110.369 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' B' ' 43' ' ' LYS . 5.6 tp10 -65.18 -45.9 83.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.756 0.66 . . . . 1.75 110.754 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' B' ' 79' ' ' PHE . 2.8 tm? -59.99 -53.89 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 1.43 109.722 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 97.0 t -57.27 -36.35 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.472 0.653 . . . . 0.4 110.767 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' B' ' 38' ' ' LYS . 41.6 ttm180 -67.67 -33.35 74.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.122 -0.944 . . . . 3.25 112.723 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 39' ' ' GLU . 17.1 ptpt -128.79 -15.74 4.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.589 0.959 . . . . 2.33 113.589 -172.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 3.3 m-20 -108.44 -32.43 7.43 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.32 -0.552 . . . . 1.87 111.95 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 89.6 mt -101.96 5.75 40.93 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.252 0.621 . . . . 0.44 110.864 174.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 12.4 pt20 -50.54 -22.25 1.89 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.644 0.979 . . . . 1.46 113.644 -174.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' HG3' ' B' ' 111' ' ' GLU . 1.5 t-20 -103.77 -49.06 3.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.948 0.404 . . . . 2.14 109.964 -175.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.495 ' O ' HD13 ' B' ' 109' ' ' LEU . 3.3 m-30 -65.01 -36.19 83.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.63 0.729 . . . . 1.92 109.637 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.23 25.03 12.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.416 -0.811 . . . . 0.61 110.267 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -46.76 -43.36 18.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.212 0.449 . . . . 2.15 112.212 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -63.27 -38.33 90.74 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.501 0.667 . . . . 1.25 110.573 -179.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.42 -33.01 64.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.983 -1.008 . . . . 2.13 109.95 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' B' ' 42' ' ' ARG . 3.7 t-20 -70.36 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.715 0.769 . . . . 1.7 110.072 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -82.96 -15.67 50.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.447 -0.797 . . . . 3.34 110.928 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -132.08 145.07 51.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 1.92 110.184 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 42.2 mt-10 -75.97 -45.63 33.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.088 0.47 . . . . 2.46 111.123 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.445 ' HD3' ' H ' ' B' ' 57' ' ' LYS . 0.0 OUTLIER -65.83 -26.05 67.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.448 -0.796 . . . . 2.5 112.138 -169.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.32 -40.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.733 -0.469 . . . . 0.66 109.733 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' B' ' 38' ' ' LYS . 30.3 mt -63.74 -38.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.425 -0.807 . . . . 1.05 109.955 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 25.9 mm-40 -59.55 -38.72 81.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.658 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -66.16 -49.23 68.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.556 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.83 -34.47 66.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.426 0.631 . . . . 1.18 110.135 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.509 ' O ' HD21 ' B' ' 74' ' ' LEU . 12.0 tpt -58.11 -53.46 58.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.233 -1.349 . . . . 1.05 111.957 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -105.24 -26.9 11.85 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 114.779 -2.769 . . . . 2.36 108.864 -162.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.0 -35.84 67.24 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.002 -0.279 . . . . 1.93 110.911 169.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.572 ' CD1' ' HB2' ' B' ' 82' ' ' LEU . 61.6 mt -78.64 -24.91 44.99 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.564 0.579 . . . . 1.26 112.564 176.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.441 ' OD1' ' HA ' ' B' ' 70' ' ' ALA . 9.7 t70 -65.13 76.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.503 1.144 . . . . 1.4 110.344 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.8 m -70.25 -24.61 63.1 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.845 -1.525 . . . . 1.98 110.847 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.33 -1.58 57.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.233 0.54 . . . . 2.25 109.633 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' OD1' ' B' ' 67' ' ' ASP . . . 53.32 36.58 23.22 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 114.55 -1.205 . . . . 1.14 111.468 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.22 8.12 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.729 -0.669 . . . . 1.95 110.392 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.9 29.31 14.56 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.773 0.797 . . . . 1.64 109.399 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' B' ' 31' ' ' THR . 29.3 mt-30 -143.25 139.14 30.07 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.252 -1.34 . . . . 1.59 108.983 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' B' ' 31' ' ' THR . 45.2 mt -107.03 115.28 29.91 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.7 110.988 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.604 ' CA ' HG22 ' B' ' 31' ' ' THR . 95.0 p -79.09 172.22 14.11 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.279 -0.873 . . . . 1.41 110.215 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.676 ' O ' ' HB ' ' B' ' 80' ' ' ILE . 6.8 p90 -52.23 -40.61 61.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.617 -0.265 . . . . 3.06 111.187 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 80' ' ' ILE . 28.6 mm-40 -65.13 -45.6 84.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 2.04 111.768 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -74.37 -44.57 51.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.297 0.57 . . . . 3.18 110.672 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 30.7 t80 -71.86 -30.0 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.312 -0.404 . . . . 3.12 110.802 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.738 HG21 ' HB2' ' A' ' 84' ' ' ALA . 2.4 tp -66.13 -38.02 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.369 -0.604 . . . . 2.0 109.369 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.589 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 25.8 ttt -54.76 -36.32 64.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.01 110.436 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' B' ' 66' ' ' LEU . 37.8 tp -60.76 -42.18 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 1.38 110.217 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.417 ' SD ' ' HZ ' ' B' ' 19' ' ' PHE . 25.5 mmt -61.74 -27.39 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.91 110.089 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -78.27 -42.57 30.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.35 110.695 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 81' ' ' MET . 33.4 mtp180 -59.3 -36.6 75.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.603 0.716 . . . . 1.67 109.227 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.84 -33.26 62.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.913 -1.04 . . . . 1.68 110.135 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.2 m -65.3 -37.51 87.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.276 0.56 . . . . 0.48 109.745 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.669 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 74.3 t90 -65.49 -39.14 91.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.551 -0.75 . . . . 3.49 109.545 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.16 80.2 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.25 -0.432 . . . . 1.18 110.869 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.1 m -67.99 -37.99 82.14 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.105 -0.498 . . . . 1.74 110.742 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' B' ' 95' ' ' HIS . 14.0 t-160 -80.86 -17.32 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.183 -0.607 . . . . 3.33 109.758 178.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.669 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 48.3 mm-40 -67.29 -32.81 74.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.606 -0.27 . . . . 3.29 110.713 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 105' ' ' HIS . 1.8 tpmt? -100.0 -23.44 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.886 -0.726 . . . . 5.62 111.012 175.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 85.8 mtp -97.2 12.23 33.58 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 122.192 -0.317 . . . . 5.55 111.802 -177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' B' ' 91' ' ' HIS . 3.5 p80 -65.56 100.86 0.54 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.3 1.047 . . . . 5.11 110.817 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.521 ' HB2' ' CA ' ' B' ' 100' ' ' GLY . 0.3 OUTLIER -57.41 161.23 3.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.688 -1.596 . . . . 5.97 107.832 164.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.41 -58.21 14.41 Favored Glycine 0 CA--C 1.505 -0.538 0 C-N-CA 118.308 -1.901 . . . . 7.19 111.128 -165.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -127.53 -39.86 1.81 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 118.284 1.042 . . . . 9.86 112.268 147.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -119.61 -8.71 9.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.775 . . . . 8.93 110.017 -177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' B' ' 96' ' ' GLU . . . -169.01 142.6 7.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.012 -1.09 . . . . 6.77 112.476 -171.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.43 ' HD3' ' HA2' ' B' ' 100' ' ' GLY . 11.0 Cg_exo -72.1 137.12 28.37 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.546 2.164 . . . . 7.97 112.519 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.73 -16.11 10.36 Favored Glycine 0 CA--C 1.507 -0.467 0 N-CA-C 109.482 -1.447 . . . . 10.54 109.482 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -139.59 141.82 37.14 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 105.243 -2.132 . . . . 12.94 105.243 174.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -93.74 135.51 34.96 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.516 0.674 . . . . 8.26 111.508 -164.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' B' ' 93' ' ' LYS . 84.6 m-70 -112.79 163.62 14.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.325 -1.307 . . . . 8.24 111.242 -170.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -68.09 126.5 92.73 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.804 -0.635 . . . . 6.24 112.151 -177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.496 ' HD2' ' O ' ' B' ' 111' ' ' GLU . 83.3 Cg_exo -51.66 138.58 49.34 Favored 'Trans proline' 0 C--O 1.21 -0.915 0 C-N-CA 124.344 3.363 . . . . 2.91 115.902 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 49.57 -41.92 0.01 OUTLIER Glycine 0 C--N 1.308 -0.982 0 C-N-CA 128.506 2.955 . . . . 3.17 120.012 174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.495 HD13 ' O ' ' B' ' 48' ' ' PHE . 1.4 tt -144.88 -52.47 0.29 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 120.744 2.272 . . . . 2.15 108.134 148.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -134.27 0.2 3.89 Favored Glycine 0 N--CA 1.461 0.335 0 CA-C-N 111.663 -2.517 . . . . 2.79 111.614 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.496 ' O ' ' HD2' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -61.61 151.05 34.46 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.646 -1.277 . . . . 3.68 113.042 -159.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.18 110.93 2.6 Favored Glycine 0 N--CA 1.44 -1.077 0 C-N-CA 120.353 -0.927 . . . . 2.85 110.938 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 26.2 m -98.78 113.91 64.9 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 110.118 -0.327 . . . . 3.89 110.118 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 122.892 2.395 . . . . 5.21 111.871 179.082 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.864 0.364 . . . . 9.06 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 t -136.46 97.23 3.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.539 0.685 . . . . 6.86 110.062 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -140.56 114.23 8.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.637 -0.71 . . . . 5.23 110.015 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -77.99 -65.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.303 -0.408 . . . . 2.34 110.238 178.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.602 ' HA ' ' ND2' ' B' ' 47' ' ' ASN . 3.6 mpp? -54.1 145.73 16.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.547 0.689 . . . . 2.68 110.587 172.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 52.1 m -110.17 179.8 4.0 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.669 -1.15 . . . . 1.22 109.016 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.96 -39.27 85.03 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.915 0.388 . . . . 2.47 111.794 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -71.0 -49.66 42.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.687 0.625 . . . . 1.81 112.687 -164.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 6' ' ' SER . 0.3 OUTLIER -70.01 -39.62 75.74 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.98 0.355 . . . . 2.29 111.797 -173.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -60.06 -34.71 73.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.109 0.48 . . . . 3.54 110.328 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.99 -37.47 81.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 1.71 110.521 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.9 mt -63.08 -48.57 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.331 -0.395 . . . . 0.32 110.676 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.99 -36.6 79.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.464 -0.334 . . . . 1.95 110.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -61.79 -41.15 97.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.361 0.6 . . . . 0.44 110.257 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' B' ' 15' ' ' ILE . 28.6 mt -66.56 -48.25 80.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 0.42 110.774 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.94 -41.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.857 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.267 -0.424 . . . . 1.76 111.758 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.75 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.5 m -68.35 -50.51 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.775 -0.454 . . . . 0.8 109.775 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -55.88 -39.83 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.619 -0.512 . . . . 3.66 109.619 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.473 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 59.3 t-80 -57.19 -44.97 84.12 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.209 -0.905 . . . . 2.82 112.272 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.75 ' HG2' ' O ' ' A' ' 18' ' ' THR . 20.7 pt20 -67.29 -33.5 75.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.166 0.439 . . . . 1.45 111.125 -176.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 97.6 m-85 -76.18 -36.56 58.64 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.224 -0.59 . . . . 1.4 110.02 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 17.7 p -77.9 -32.94 52.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.235 0.54 . . . . 1.04 111.413 -176.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 5.6 p -70.58 -3.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 0.69 111.419 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD2' ' CG ' ' A' ' 36' ' ' GLU . 67.8 mttm -64.02 -26.15 68.44 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.118 -0.492 . . . . 2.17 109.772 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' A' ' 33' ' ' ASN . 6.7 mp -90.39 12.8 17.31 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.14 -0.482 . . . . 2.04 112.057 175.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.03 -116.12 5.06 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 120.719 -0.753 . . . . 1.43 111.464 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -62.48 106.94 0.96 Allowed Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 106.841 -1.54 . . . . 3.7 106.841 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.68 ' O ' ' HB2' ' A' ' 23' ' ' SER . 49.8 Cg_endo -76.08 44.14 1.27 Allowed 'Trans proline' 0 CA--C 1.516 -0.396 0 CA-C-O 116.917 -1.368 . . . . 2.64 115.499 -153.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.62 1.81 6.11 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 123.269 2.759 . . . . 2.56 113.631 -150.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.599 ' OG1' ' HB3' ' A' ' 73' ' ' GLN . 1.7 t -157.31 159.4 37.49 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.02 0.528 . . . . 1.4 111.74 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 mt -99.16 119.95 38.7 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.884 -1.154 . . . . 0.73 107.884 159.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' A' ' 26' ' ' LEU . 9.4 p30 -81.07 174.0 12.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.547 -0.861 . . . . 2.37 110.065 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.904 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 7.6 tt0 -49.75 -43.88 48.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.623 0.577 . . . . 1.42 111.976 -175.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.81 47.0 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.434 -0.889 . . . . 0.44 111.698 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' CG ' ' HD2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.55 -37.58 77.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.425 . . . . 2.0 111.178 -178.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.86 -52.35 57.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 1.47 110.558 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.8 mtpp -56.84 -45.14 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.115 -0.493 . . . . 1.38 110.852 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 33.0 tt0 -62.77 -45.37 92.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.716 0.294 . . . . 1.74 110.87 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.48 -49.47 77.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.55 -0.537 . . . . 1.43 109.55 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 76.0 t -59.93 -37.34 71.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.635 -0.711 . . . . 0.4 110.833 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 46' ' ' GLN . 77.7 mtp180 -70.59 -29.4 65.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.392 0.516 . . . . 3.25 112.392 -175.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 36.6 mtmt -104.29 -56.52 2.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.64 0.607 . . . . 2.33 112.64 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.94 -42.49 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.492 -0.483 . . . . 1.88 111.037 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . 77.8 mt -94.44 2.71 55.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.274 -0.421 . . . . 0.44 111.416 -175.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.054 0.542 . . . . 1.46 112.005 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' ND2' ' HA ' ' B' ' 5' ' ' MET . 19.4 p-10 -97.42 -46.58 6.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.664 -0.698 . . . . 2.14 111.35 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' B' ' 9' ' ' GLU . 2.7 m-85 -72.09 -34.28 68.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.343 0.592 . . . . 1.91 110.596 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -104.21 24.02 12.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.803 -0.814 . . . . 0.61 108.803 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.4 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.283 0.845 . . . . 2.16 113.283 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.617 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -57.76 -37.51 73.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.446 0.641 . . . . 1.25 110.653 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 31.8 tt0 -74.55 -33.88 62.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.171 -0.922 . . . . 2.13 110.942 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.414 HD21 ' HG2' ' A' ' 42' ' ' ARG . 4.9 t-20 -65.8 -18.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.7 110.943 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -4.55 57.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.102 -0.499 . . . . 3.34 110.991 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -132.49 145.72 51.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.842 -0.429 . . . . 1.92 109.842 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 3.8 mp0 -85.89 -43.62 13.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.46 110.503 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -58.7 -28.61 65.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 2.5 111.913 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 52' ' ' GLU . 3.9 t -71.43 -38.3 68.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.66 109.992 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 mt -70.93 -35.08 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 1.05 109.776 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 21.0 mm-40 -57.44 -35.71 70.45 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.305 0.574 . . . . 1.86 109.796 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -63.87 -48.84 75.09 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.399 -0.819 . . . . 1.87 110.199 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 82' ' ' LEU . 31.0 mt -62.87 -34.86 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.714 0.768 . . . . 1.18 109.827 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.904 ' SD ' ' HA ' ' A' ' 34' ' ' GLN . 8.1 tpt -57.98 -37.86 75.01 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.425 -1.716 . . . . 1.05 111.86 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 67' ' ' ASP . 27.7 tt0 -120.86 -30.52 4.4 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 115.561 -2.456 . . . . 2.37 111.364 -177.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.61 -34.88 67.65 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.622 -0.431 . . . . 1.93 110.69 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 85' ' ' ARG . 22.7 mt -81.56 -29.49 33.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.787 -0.365 . . . . 1.26 111.404 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 64' ' ' GLU . 63.3 t0 -70.59 89.43 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.771 0.796 . . . . 1.39 111.061 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.0 m -60.43 -22.55 63.54 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.537 -1.21 . . . . 1.98 111.431 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.55 -6.31 49.89 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.587 -0.445 . . . . 2.25 110.681 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.19 33.9 10.33 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.244 -0.889 . . . . 1.15 113.037 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -117.13 18.44 14.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.746 -0.207 . . . . 1.95 110.769 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 65.05 38.55 6.12 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.934 0.771 . . . . 1.64 109.441 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.599 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 27.2 mt-30 -142.71 141.44 31.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.055 -0.975 . . . . 1.59 110.466 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HG ' ' HE1' ' A' ' 63' ' ' MET . 62.2 mt -114.91 114.5 25.56 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.446 -0.502 . . . . 0.7 110.5 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 m -77.02 166.3 23.49 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.959 -0.756 . . . . 1.42 108.959 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.693 ' HA ' ' CE2' ' A' ' 79' ' ' PHE . 22.7 p90 -52.32 -40.63 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.909 0.707 . . . . 3.07 112.909 -175.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' HG22 ' A' ' 80' ' ' ILE . 35.3 mt-10 -69.8 -29.27 66.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 2.03 111.452 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 66' ' ' LEU . 18.8 mm-40 -76.66 -48.81 17.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.149 0.499 . . . . 3.18 109.752 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.693 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 2.1 p90 -73.38 -25.41 60.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.186 -0.605 . . . . 3.12 111.135 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' B' ' 84' ' ' ALA . 3.5 tp -65.07 -40.94 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.059 -0.656 . . . . 2.0 109.67 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.636 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 85.4 mmm -53.26 -37.21 61.91 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.711 -0.222 . . . . 2.01 111.075 170.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 53.6 tp -58.45 -40.31 82.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.909 0.385 . . . . 1.38 110.203 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 mmt -63.87 -26.84 68.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.955 -0.566 . . . . 0.91 110.01 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' B' ' 80' ' ' ILE . . . -79.57 -36.85 37.62 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.35 110.327 175.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 81' ' ' MET . 16.9 mtp180 -64.67 -36.28 83.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.527 0.68 . . . . 1.67 109.368 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.0 tp -77.19 -28.32 53.89 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.439 -0.801 . . . . 1.68 109.612 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.8 m -65.82 -32.13 73.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.573 -0.529 . . . . 0.48 109.573 171.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.7 t90 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.518 -0.549 . . . . 3.49 109.518 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.12 -32.73 74.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 1.18 110.421 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.95 -36.18 75.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.675 . . . . 1.74 109.683 175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' A' ' 94' ' ' MET . 53.5 t-80 -64.55 -39.03 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.335 -0.848 . . . . 3.33 110.878 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 88' ' ' TRP . 5.0 pt-20 -80.39 -35.56 35.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.42 -0.355 . . . . 3.3 111.463 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 93' ' ' LYS . 19.3 tptm -82.52 -8.09 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 5.63 111.414 -176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' A' ' 91' ' ' HIS . 25.6 ptt? -83.32 9.56 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.446 0.536 . . . . 5.55 112.446 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -71.77 77.08 0.86 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.194 0.997 . . . . 5.1 111.515 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.501 ' HB3' ' CA ' ' A' ' 100' ' ' GLY . 10.6 tp10 -60.96 164.44 4.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.974 -1.012 . . . . 5.97 108.307 167.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -45.06 -46.62 9.84 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-O 118.554 -1.137 . . . . 7.17 113.644 -157.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.81 -42.5 2.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 120.348 2.074 . . . . 9.86 116.556 166.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.43 -38.67 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.155 -1.018 . . . . 8.93 112.911 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.501 ' CA ' ' HB3' ' A' ' 96' ' ' GLU . . . 165.45 166.51 24.56 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.379 -0.915 . . . . 6.76 111.826 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HB2' ' O ' ' A' ' 103' ' ' HIS . 7.4 Cg_exo -73.34 154.78 51.26 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.877 2.385 . . . . 7.95 112.559 179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.49 -11.29 78.01 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.73 -0.948 . . . . 10.53 110.73 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 48.9 t-80 -140.27 129.43 23.67 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 104.783 -2.303 . . . . 12.94 104.783 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.402 ' CD2' ' HB3' ' B' ' 17' ' ' ASN . 7.3 p-80 -94.93 90.94 6.17 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 118.291 -1.363 . . . . 8.25 113.197 -161.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -150.53 127.59 11.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.128 -1.851 . . . . 8.24 107.153 162.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -118.45 123.38 29.31 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.55 -0.537 . . . . 6.23 109.55 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.597 ' HA ' ' OE2' ' A' ' 111' ' ' GLU . 23.5 Cg_endo -73.76 157.65 47.72 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.047 1.831 . . . . 2.91 110.346 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.752 ' HA2' ' O ' ' A' ' 111' ' ' GLU . . . 90.14 33.65 8.71 Favored Glycine 0 N--CA 1.428 -1.89 0 C-N-CA 118.174 -1.965 . . . . 3.18 115.466 159.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -88.88 -42.34 11.91 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.043 -1.465 . . . . 2.15 107.043 167.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ASN . . . -122.31 6.1 10.06 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.569 -1.013 . . . . 2.79 110.569 166.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.752 ' O ' ' HA2' ' A' ' 108' ' ' GLY . 5.4 mt-10 -110.06 156.59 20.33 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.436 -0.882 . . . . 3.67 110.454 -168.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.38 108.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.253 -1.451 . . . . 2.84 112.326 169.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 11.1 t -152.56 136.16 9.87 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 110.163 -0.31 . . . . 3.88 110.163 171.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 113' ' ' THR . 7.9 Cg_exo . . . . . 0 C--O 1.251 1.127 0 C-N-CA 122.624 2.216 . . . . 5.2 111.862 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.787 0.327 . . . . 9.07 110.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -136.4 97.3 3.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.7 . . . . 6.86 109.975 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -140.81 113.59 8.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 5.24 110.147 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.536 ' HA ' ' HE3' ' B' ' 4' ' ' LYS . 0.5 OUTLIER -77.44 -65.69 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 2.34 110.187 178.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . 0.605 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 3.6 mpp? -53.9 146.41 14.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.619 0.724 . . . . 2.68 110.486 172.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.55 ' HB2' ' OE1' ' B' ' 9' ' ' GLU . 55.7 m -110.85 179.74 3.97 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.713 -1.131 . . . . 1.22 109.144 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.89 -39.33 84.98 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.938 0.399 . . . . 2.47 111.639 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.613 ' O ' HG13 ' B' ' 12' ' ' ILE . 0.8 OUTLIER -71.12 -49.61 42.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.665 0.617 . . . . 1.81 112.665 -164.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.3 OUTLIER -70.03 -39.55 75.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.99 0.359 . . . . 2.28 111.875 -172.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -60.06 -34.78 73.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 3.54 110.343 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -67.95 -37.47 81.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 1.7 110.595 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.613 HG13 ' O ' ' B' ' 8' ' ' LEU . 69.3 mt -63.08 -48.56 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.333 -0.394 . . . . 0.33 110.776 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.71 -36.72 79.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 1.95 111.018 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.6 m -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.44 110.284 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.645 HD12 HD12 ' A' ' 15' ' ' ILE . 28.0 mt -66.45 -48.2 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.42 110.817 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.13 -41.42 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 0.42 110.83 -176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 26.6 m-80 -69.43 -30.87 68.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.22 -0.445 . . . . 1.76 111.863 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.0 m -68.49 -50.59 51.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.802 -0.444 . . . . 0.8 109.802 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' B' ' 32' ' ' LEU . 25.2 m-85 -55.79 -39.75 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.142 0.496 . . . . 3.66 109.675 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.472 ' HA ' ' OG ' ' B' ' 23' ' ' SER . 59.3 t-80 -57.25 -44.85 84.26 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.249 -0.887 . . . . 2.83 112.404 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.754 ' HG2' ' O ' ' B' ' 18' ' ' THR . 20.7 pt20 -67.26 -33.72 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 118.035 0.38 . . . . 1.45 111.144 -176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.545 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 97.5 m-85 -76.01 -36.51 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.128 -0.629 . . . . 1.4 110.034 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.677 ' HB2' ' O ' ' B' ' 29' ' ' PRO . 18.4 p -77.94 -32.83 51.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 1.04 111.51 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.566 ' HA ' ' HB3' ' B' ' 29' ' ' PRO . 5.5 p -70.72 -3.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.69 111.316 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.588 ' HD2' ' CG ' ' B' ' 36' ' ' GLU . 67.7 mttm -63.82 -26.36 68.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.095 -0.502 . . . . 2.17 109.712 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.584 HD11 HD22 ' B' ' 33' ' ' ASN . 6.7 mp -90.22 12.72 17.22 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.194 -0.457 . . . . 2.04 112.075 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.14 -116.1 5.07 Favored Glycine 0 C--O 1.228 -0.278 0 C-N-CA 120.724 -0.751 . . . . 1.43 111.307 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -62.63 106.91 0.97 Allowed Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 106.784 -1.562 . . . . 3.7 106.784 167.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' B' ' 23' ' ' SER . 50.2 Cg_endo -76.06 44.03 1.25 Allowed 'Trans proline' 0 CA--C 1.516 -0.397 0 CA-C-O 116.901 -1.375 . . . . 2.64 115.571 -153.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -71.6 1.47 6.58 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 123.3 2.773 . . . . 2.56 113.568 -150.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 73' ' ' GLN . 1.7 t -156.97 159.34 37.96 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.175 0.59 . . . . 1.4 111.794 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' B' ' 19' ' ' PHE . 54.3 mt -99.05 120.06 38.84 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.868 -1.16 . . . . 0.73 107.868 159.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.584 HD22 HD11 ' B' ' 26' ' ' LEU . 9.4 p30 -81.21 173.94 12.03 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.518 -0.873 . . . . 2.37 110.037 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.92 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 7.6 tt0 -49.61 -44.04 46.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.698 0.624 . . . . 1.42 112.003 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.0 -41.91 46.54 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.457 -0.877 . . . . 0.44 111.654 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.588 ' CG ' ' HD2' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -69.28 -37.51 77.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.369 . . . . 2.01 111.212 -178.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -64.87 -52.36 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.377 -0.374 . . . . 1.47 110.552 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 27.8 mtpp -56.95 -45.17 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.146 -0.479 . . . . 1.39 110.911 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 33.3 tt0 -62.69 -45.27 93.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 1.75 110.944 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.49 -49.52 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.597 -0.52 . . . . 1.43 109.597 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' B' ' 45' ' ' LEU . 76.2 t -59.82 -37.36 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.601 -0.727 . . . . 0.4 110.832 177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.661 ' O ' ' HB3' ' B' ' 46' ' ' GLN . 77.4 mtp180 -70.61 -29.4 65.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.378 0.51 . . . . 3.25 112.378 -175.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 36.6 mtmt -104.36 -56.39 2.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.692 0.627 . . . . 2.33 112.692 -174.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.95 -42.65 17.37 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.62 -0.432 . . . . 1.87 110.957 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 41' ' ' VAL . 78.1 mt -94.27 2.6 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.44 111.469 -175.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.661 ' HB3' ' O ' ' B' ' 42' ' ' ARG . 19.1 pt20 -52.33 -23.28 5.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.019 0.528 . . . . 1.46 111.918 -175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.602 ' ND2' ' HA ' ' A' ' 5' ' ' MET . 19.5 p-10 -97.49 -46.44 6.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.733 -0.667 . . . . 2.14 111.311 -177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' GLU . 2.7 m-85 -72.17 -34.51 68.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.312 0.577 . . . . 1.92 110.508 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.96 24.04 11.96 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.816 -0.809 . . . . 0.61 108.816 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' B' ' 46' ' ' GLN . 19.6 ttpp -46.38 -57.44 4.64 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.249 0.833 . . . . 2.15 113.249 -171.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.616 ' HD3' ' H ' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -57.81 -37.24 73.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.363 0.601 . . . . 1.25 110.746 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' CG1' ' B' ' 58' ' ' VAL . 31.2 tt0 -74.77 -33.76 62.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.179 -0.919 . . . . 2.13 111.073 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.409 HD21 ' HG2' ' B' ' 42' ' ' ARG . 5.0 t-20 -65.91 -18.0 65.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 1.7 111.023 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.11 -4.88 57.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 3.34 110.968 -177.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.19 145.63 51.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.911 -0.403 . . . . 1.92 109.911 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 60' ' ' GLU . 4.0 mp0 -85.9 -43.8 12.93 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 2.46 110.474 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -58.69 -28.25 65.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 2.5 112.037 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' B' ' 52' ' ' GLU . 3.9 t -71.68 -38.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.224 0.535 . . . . 0.66 110.071 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -71.2 -35.06 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 1.05 109.852 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' B' ' 56' ' ' GLU . 21.0 mm-40 -57.3 -35.9 70.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.238 0.542 . . . . 1.85 109.774 174.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -63.76 -48.89 75.16 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.425 -0.807 . . . . 1.87 110.185 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.46 HG21 HD13 ' B' ' 82' ' ' LEU . 30.8 mt -62.76 -34.94 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.838 0.828 . . . . 1.18 109.872 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HA ' ' B' ' 34' ' ' GLN . 8.1 tpt -57.93 -37.55 74.31 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 113.385 -1.734 . . . . 1.05 111.912 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' B' ' 67' ' ' ASP . 27.7 tt0 -121.09 -30.55 4.33 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 115.466 -2.494 . . . . 2.36 111.298 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.79 -34.4 67.62 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.541 -0.464 . . . . 1.93 110.652 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 85' ' ' ARG . 22.8 mt -82.01 -29.14 32.17 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.769 -0.372 . . . . 1.26 111.457 172.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 64' ' ' GLU . 63.1 t0 -70.8 89.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.915 0.864 . . . . 1.4 111.037 -174.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 86.0 m -60.78 -22.55 64.21 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.317 -1.31 . . . . 1.98 111.401 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -92.6 -6.19 50.01 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.535 -0.466 . . . . 2.25 110.604 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 51.0 33.79 9.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.261 -0.881 . . . . 1.14 113.133 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.02 18.17 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.648 0.261 . . . . 1.95 110.605 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 34' ' ' GLN . 0.2 OUTLIER 65.18 38.6 5.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.669 -0.696 . . . . 1.64 109.352 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.597 ' HB3' ' OG1' ' B' ' 31' ' ' THR . 27.2 mt-30 -142.8 141.26 31.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.979 -1.01 . . . . 1.59 110.532 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 61.4 mt -114.64 114.59 25.88 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.9 -0.5 . . . . 0.7 110.527 -176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 5.7 m -77.03 166.41 23.34 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.007 -0.738 . . . . 1.41 109.007 175.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.704 ' HA ' ' CE2' ' B' ' 79' ' ' PHE . 22.7 p90 -52.34 -40.59 62.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.885 0.698 . . . . 3.06 112.885 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.464 ' O ' HG22 ' B' ' 80' ' ' ILE . 35.3 mt-10 -69.78 -29.43 66.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 2.04 111.482 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.415 ' O ' HD13 ' B' ' 66' ' ' LEU . 18.8 mm-40 -76.56 -48.75 18.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.22 0.533 . . . . 3.18 109.75 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.704 ' CE2' ' HA ' ' B' ' 76' ' ' PHE . 2.2 p90 -73.27 -25.38 60.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.137 -0.625 . . . . 3.12 111.181 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.783 HG21 ' HB2' ' A' ' 84' ' ' ALA . 3.5 tp -65.21 -40.84 90.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 2.0 109.623 176.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.634 ' O ' ' HG3' ' B' ' 85' ' ' ARG . 85.6 mmm -53.23 -37.38 62.01 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.739 -0.209 . . . . 2.01 110.997 170.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' B' ' 79' ' ' PHE . 53.7 tp -58.45 -40.3 82.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.948 0.404 . . . . 1.38 110.172 175.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.3 mmt -63.76 -26.86 68.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.015 -0.539 . . . . 0.91 110.012 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 80' ' ' ILE . . . -79.5 -37.03 37.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.945 0.402 . . . . 0.35 110.36 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' B' ' 81' ' ' MET . 16.9 mtp180 -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.511 0.672 . . . . 1.67 109.384 176.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -77.32 -28.3 53.12 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 115.467 -0.788 . . . . 1.68 109.598 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -65.74 -32.03 73.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.599 -0.519 . . . . 0.48 109.599 171.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' TRP . . . . . 0.505 ' O ' ' HG2' ' B' ' 92' ' ' GLU . 24.8 t90 -66.86 -36.14 81.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.459 -0.571 . . . . 3.49 109.459 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.21 -33.0 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 1.18 110.386 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -69.72 -36.12 75.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.667 -0.697 . . . . 1.74 109.559 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' B' ' 94' ' ' MET . 53.3 t-80 -64.74 -38.64 91.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.392 -0.822 . . . . 3.33 110.889 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 88' ' ' TRP . 5.1 pt-20 -80.82 -35.52 32.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.307 -0.406 . . . . 3.29 111.468 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -82.36 -8.28 59.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 5.62 111.338 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 91' ' ' HIS . 25.6 ptt? -83.37 9.88 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.51 0.559 . . . . 5.55 112.51 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -72.02 76.99 0.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 122.169 0.985 . . . . 5.11 111.512 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.502 ' HB3' ' CA ' ' B' ' 100' ' ' GLY . 10.4 tp10 -61.28 164.32 5.55 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.968 -1.015 . . . . 5.97 108.309 167.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -44.92 -46.55 9.4 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-O 118.535 -1.147 . . . . 7.19 113.739 -157.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -119.86 -42.41 2.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 120.43 2.115 . . . . 9.86 116.628 166.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -125.51 -38.72 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.396 -0.922 . . . . 8.93 112.909 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.502 ' CA ' ' HB3' ' B' ' 96' ' ' GLU . . . 165.53 166.67 24.91 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.227 -0.987 . . . . 6.77 111.864 -170.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.427 ' HB2' ' O ' ' B' ' 103' ' ' HIS . 7.4 Cg_exo -73.33 154.83 51.35 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.759 2.306 . . . . 7.97 112.632 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.64 -11.08 78.13 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 110.758 -0.937 . . . . 10.54 110.758 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' B' ' 101' ' ' PRO . 49.3 t-80 -140.13 129.38 23.81 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 104.787 -2.301 . . . . 12.94 104.787 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -94.91 91.03 6.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 118.192 -1.403 . . . . 8.26 113.138 -161.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -150.46 127.64 11.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 113.227 -1.806 . . . . 8.24 107.293 161.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -118.25 123.38 29.44 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 109.667 -0.494 . . . . 6.24 109.667 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.592 ' HA ' ' OE2' ' B' ' 111' ' ' GLU . 23.3 Cg_endo -73.64 157.72 48.12 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.022 1.814 . . . . 2.91 110.379 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . 0.745 ' HA2' ' O ' ' B' ' 111' ' ' GLU . . . 90.04 33.53 8.85 Favored Glycine 0 N--CA 1.428 -1.855 0 C-N-CA 118.227 -1.939 . . . . 3.17 115.436 158.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -88.53 -42.5 12.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.051 -1.463 . . . . 2.15 107.051 167.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' B' ' 47' ' ' ASN . . . -122.19 6.18 10.15 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.557 -1.017 . . . . 2.79 110.557 166.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.745 ' O ' ' HA2' ' B' ' 108' ' ' GLY . 5.4 mt-10 -109.99 156.82 19.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.499 -0.85 . . . . 3.68 110.472 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.55 108.46 0.87 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.151 -1.5 . . . . 2.85 112.339 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . 11.0 t -152.55 136.32 10.0 Favored Pre-proline 0 CA--C 1.534 0.349 0 N-CA-C 109.986 -0.376 . . . . 3.89 109.986 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 113' ' ' THR . 9.0 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.588 2.192 . . . . 5.21 112.092 178.167 . . . . . . . . 1 1 . 1 stop_ save_